University of Belgrade Faculty of Physics

Nata sa Nedeljkovi c INTERACTION OF ATOMIC PARTICLES WITH SOLID SURFACES

BEGRADE, 2010.

Contents

I. INTRODUCTION II. QUANTUM MECHANICS AND QUANTUM TELEOLOGY II.A. Quantum mechanics 1. Postulat about the quantum states 2. Postulat about the quantum observables 3. Postulate about the spontaneous evolution 4. Postulate about the quantum measurement II.B. The principles of quantum teleology 1. Denition of the teleological ensemble 2. Postulate about the quantum states and quantum observables 3. Postulate about the spontaneous evolution 4. Postulate about the strong measurement III. THE MIXED FLUX III.A. Flux in quantum mechanics 1. Dierential form of the quantum continuity equation 2. Integral form of the quantum continuity equation 3. Quantum ux through the moving Firsov plane 4. Galilean translation factor III.B. Mixed ux in quantum teleology 1. Dierential form of the continuity equation in quantum teleology 2. Integral form of the continuity equation in quantum teleology 3. Mixed ux through the moving Firsov plane III.C. Teleological probability amplitude and probability 1. Teleological probability amplitude 12 () 2. Teleological amplitude 12 () via the mixed ux 12 () 3. Teleological probability and teleological rate via the mixed ux IV. INTERACTIONS IN THE ION-SURFACE SYSTEM IV.A. Asymptotic interaction potentials

1 4 4 4 4 6 8 10 10 11 12 14 16 16 16 18 20 22 25 25 26 28 29 29 30 31 34 34

1. Image potentials 2. Atomic potentials 3. Total potential IV.B. Dielectric Response Theory 1. The charge and the induced charge density 2. Poisson equation 3. Dynamic generalization of the image potentials 4. Dynamic generalization of the image potential in the surface plasmon pole approximation V. QUANTUM TELEOLOGY OF THE ION-SURFACE SYSTEM V.A. Geometrija problema 1. normal emergency geometry 2. scattering geometry V.B. Preselekcija, postselekcija i Hamiltonijani V.C. Teleolo ski opis neutralizacije 1. Teleolo ski opis neutralizacije for the nomal emergency geometry 2. Teleolo ski opis neutralizacije for the scattering geometry V.D. Me sani uks elektronskog zahvata 1. Talasne funkcije aktivnog elektrona 2. Izra cunavanje me sanog uksa 3. Fazni portret me sanog uksa VI. EXAMPLES ofthe Quantum teleology of the ion suraface interaction VI.A. EXAMPLE 1: Neutralization in Quantum teleology of the ion suraface interaction: SPIG2006 1. Quantum teleological model for neutraliation 2. Neutralization in the QTM 3. Total neutralization rates VI.B. ccccSPIG... 1. ccccSPIG... VII. ZAKLJUCAK ii

34 36 37 38 38 40 43 44 45 45 45 46 46 48 48 50 50 50 52 54 57 57 57 57 59 60 60 60

DODATAK: OSNOVNI POJMOVI KVANTNE TELEOLOGIJE DODATAK: FORMULE POTREBNE ZA IZRACUNAVANJE MESANOG FLUKSA Ulazni parametri parametri i Formule LITERATURA

63

66 66 66 66 69

iii

To Ljubi sa Nedeljkovi c

from the past toward the future from the future toward the past

iv

I.

INTRODUCTION

The physical description of the interaction of atomic particles with solid surfaces is commonly given within the framework of quantum mechanics. We recall that the quantum mechanics [1, 2] is formulated for the quantum ensemble of the micro-particles (for example, for the electron in the ion-surface system). The ensemble consists of suciently large number of particles having the one or several common properties, which are all in the same quantum state in the initial time . The preparation (preselection) of the ensemble is performed by the quantum measurement (the interaction of the measuring device with all particular members of the ensemble). This procedure leads to the formation of the pure state of the ensemble. According to the postulate about the quantum states, the quantum system at the time is described by the state vector () from the abstract Hilbert space. In the absence of quantum measurements, the quantum state () evolves causally from the given initial state ( ) in which the system has been in the initial time . That is, the ( , )( ), where ( , ) is the evolution state () is given by the relation () = operator; the described process of the time evolution represents the so called U-process. The corresponding dierential law of the time evolution is given by the Schr odinger equation ()(), (together with the initial condition ()= = ( )): ()/ =

() is the Hamiltonian (energy operator) of the system. The Schr where odinger equation is equivalent to the quantum continuity equation = for the density of the quantum state ( , ) = ()2 and the density of the quantum current ( , ). From the experimental point of view, the fundamental question that can be asked within the framework of the standard quantum mechanics is: what is the probability for obtaining )? For the particular value of the measured physical quantity (observable - operator example, one can consider the probability of the electron capture form the solid into a given of the system) of the ion moving. According quantum state (eigenstate of the Hamiltonian to the postulate of quantum measurements, during the instant and strong interaction of the measuring device with the particular member of the quantum ensemble the quantum state () is reduced into an eigenstate of the measured observable (R-process). This R process can be predicted only by some probability given by the von Neumann formula. However, the conventional quantum ensemble is not the only possible ensemble of quantum particles. Considering the time inversion problem in the quantum measurement theory, 1

Y. Aharonov, P. Bergman, and J. Lebowitz proposed the teleological (time symmetrized) quantum ensembles [3]. For these ensembles, both the initial quantum state (for in the past) and the nal quantum state (for in the future) are known. From the standpoint of the arrow of time past future, the state of the micro-particles of the ensemble evolves teleologically, toward the given future state. Thus, the quantum event at the time ( , ) depends not only on the initial, but also on the nal conditions. Quantum mechanics formulated for teleological quantum ensembles is known as the two-state vector formalism of quantum mechanics [4] or quantum teleology. Mathematical formulation of quantum teleology is given by Reznik and Aharonov [5]. The quantum teleology introduced to avoid the time asymmetry (irreversibility) of the standard formulation of quantum mechanics due to reduction of quantum state in the act of measurement, is further developed in a series of articles by Aharonov and coworkers, and still represents an active eld of physical research. In recent times, a great attention has been paid to the weak measurements on postselected (teleological) system. The possibility of such measurements was introduced by Aharonov and Vaidman in Ref. [6], and quickly followed by experimental realization in 1991 [7]. By applying the weak measurement theory, some interesting systems and phenomena have been considered lately: the N-particle entangled systems [8], the weak trace describing the past of a quantum particle [9], etc. There are some practical applications of weak measurements based on their ability to enhance the measured experimental signal; for example, the spin Hall eect of light has been observed via weak measurements [10]. Also, some intriguing experiments, such as determining the trajectories of individual photons [11] and the wave function of the photon itself [12] have been recently performed. Within the framework of quantum teleology, the quantum state [3, 13] is described by two state vectors 1 () and 2 (). Vector 1 () evolves toward the future from the initial state 1 ( ), while the vector 2 () evolves toward the past from the given nal state 2 ( ), i.e., it evolves teleologically toward the future state 2 ( ). Vectors 1 () and 2 () formed the twostate. The basic question in the quantum teleology is the same as in the standard quantum mechanics: what is the result of measurement? The answer is given by the ABL-formula for the probability [3], which represents the generalization of the von Neumanns formula. In the present study, we consider the electron exchange process between the solid surfaces and the moving ions. The behavior of the active electron in the ion-surface system will be 2

analyzed within the framework of the quantum teleology. This enable us to consider the nal and the intermediate stages of the electron exchange process on the same footing. The so formulated ion-surface interaction problem is known as two-state vector model (TVM) [1417]. Of special interest, specic for the TVM, is the intermediate probability of ionization/neutralization of the atomic particles in the presence of solid surface, i.e., the spatial localization of the electron for ( , ). In order to elucidate this kind of problems, the TVM is formulated in the coordinate representation, in which the fundamental quantities are the twocurrent density 12 ( , ) and the mixed ux 12 ( , ). The mixed ux has been rstly introduced within the Bardeen model [18] of the electron exchange (tunneling) between two metals. That is, the time independent states 10 and 20 that form the Barden two-current can be considered as the states 1 () and 2 () of the TVM. On the other hand, by analyzing the electron exchange during the scattering of atoms by the positive ion, Demkov and Ostrovski [19] used the mixed ux with a more direct teleological interpretation. This interpretation can be obtained if we extend the Demkov and Ostrovskys expressions (formulated to be exact for the nal time = ) to the intermediate stages of the process ( ( , )). This has been done by Nedeljkovi c, Nedeljkovi c et al. [1417] in the theoretical considerations of the electron exchange between the solid surface and the atomic system (ion). The further elaboration of the mixed ux 12 ( , ) is given in references [2022], etc. In this study we present the TVM of the interaction of multiply charged ion with conducting solid surface (metal). We consider the neutralization process during the ion escape from the surface under the teleological conditions. That is, we consider the electron with a given initial state (mainly localized in the solid) and the given nal state for the electron in the given Rydberg state of the ion. The grazing incidence of the multiply charged ions will be also considered in the present study [23], with the analysis of the parallel velocity eect. The TVM will be presented for intermediate ( 1 a.u.) and law ionic velocities ( 1 a.u.), as well as for the the large velocities ( 1 a.u.). In the last case the TVM will be dynamically generalized [24]. Atomic units (2 = = = 1, where is the electron charge, is the Plank constant, and is the electron mass) will be used throughout the study unless indicated otherwise.

II.

QUANTUM MECHANICS AND QUANTUM TELEOLOGY II.A. 1. Quantum mechanics

Postulat about the quantum states

The TVM analysis of the interaction of atomic particles with solid surfaces we begin with the formulation of the basic principles of quantum mechanics. The time-symmetrized quantum mechanics (quantum teleology) can be obtained by the generalization of these principles. All information about the quantum ensembles are given by the state vector , which represents the element (vector) of the abstract Hilbert space . In the coordinate representation the state of the system is given by the wave function ( , ). More precise, the state of the quantum system is given by the vector of the unit norm: = 1. In the coordinate representation the normalization condition is expressed by ( , )( , ) = 1, where integration is over the all space. Let us note that in some physical situation the state of the system is from the ridged Hilbert space. These states have the innite norm, i.e., they are normalized by the condition = ( ), where ( ) is the Dirac -function and is the continuous energy parameter. For example, the decaying states of the active electron of the atomic particle during the ionization in the interaction with solid surface [2527] belong to the class of these generalized quantum states.

2.

Postulat about the quantum observables

The physical reality of the classical mechanics is based on the physical quantities, which ), etc. can be scalars (energy ), vectors (position , momentum , angular momentum The situation drastically changes when we pass from the classical to the quantum mechanics: in quantum mechanics the physical quantities (quantum observables) are represented by the , with domain in the Hilbert space of quantum states. In scalar (or vector) operators the coordinate representation the quantum observables are the multiplicative or dierential = represents operators. We point out that only the selfadjoint (hermitian) operators the physical quantities. This extra condition is closely related with the postulate about the 4

possible values of the physical quantities in quantum mechanics. Namely, the only values of that can be obtained by the quantum measurements are the eigenvalues the observable of the considered operator, which are real for selfadjoint operators. The eigenvalues and are the solutions of the eigenvalue problem: the eigenvectors of the operator = . The eigenvectors satisfy the orthogonalization-normalization condition: = . The basic observable in quantum mechanics are the position (coordinate) operator . The possible values of these quantities are the same as and the momentum operator in classical physics: any value of the vector or the momentum can be obtained by the quantum measurement. The solution of the eigenvalue problem = are the eigenvalues = (, , ) R3 , and the eigenvectors , which belong to the ridged Hilbert space. In the coordinate representation, the position operator is the multiplicative operator: for example, = is the coordinate operator of the coordinate . The solution of the eigenvalue problem = are the eigenvalues = ( , , ) R3 , and the eigenvectors from the ridged Hilbert space. In the coordinate representation the momentum operator = , where = (/) is the dierential operator: + (/ ) + (/ ) . and , we can construct the energy operator (Hamiltonian) of Using the basic operators () = + (), where the particle (active electron in the ion-surface system) of the mass : 2 /2 and = () are the operators of the kinetic and potential energy, respectively. We = (). In the coordinate assumed that the potential energy is time dependent, so that representation the Hamiltonian of the system is given by: 2 2 ( , ) = + ( , ). 2 (II.2) (II.1)

: The possible energies of the quantum system are the eigenvalues of the Hamiltonian = . (II.3)

In contrast to the case of the position and momentum, the spectrum (the set of all possible values of the considered quantity) of the Hamiltonian can be discrete. By Eq. (II.3) we present the simplest case of the nondegenerate discrete spectrum when only one state corresponds to the energy ; the state and the energy are numerated by one quantum number . In the case of degenerate spectrum, to the energy corresponds the set of linearly independent eigenstates, which must be labeled by the set of quantum numbers. 5

The quantum states and observables are dened within the framework of quantum ensemble of the microparticles. In Fig. II.A.1 we present schematically the formation of the quantum ensemble. The set of suciently large number of microparticles in the time

Figure II.A.1: Schematic presentation of the formation of the quantum ensemble

pass through the appropriate measuring device (which is in Fig. II.A.1 represented by the with discrete and, for examlter). By the measuring device we measure the observable is ple, nondegenerate spectrum. Also, we assume that the measurement of the observable selective, so that the lter is transparent only for the particles with a given eigenvalue of . The quantum ensemble is formed by the set of microparticles the measured observable which pass this preparation (preselection test). Instantaneously after the time , all particles of the ensemble are in the eigenstate . The state represents one of the all possible states , which are the of the observable solutions of the eigenproblem (II.1). In the time > , the state of the quantum ensemble is given by the vector () from the Hilbert space . The quantum ensemble obtained by the described measurement procedure represents the space-like ensemble. Another, equivalent way to form the ensemble is by the interaction of the lter with the particular particles, one by one, during some time interval (time-like ensemble).

3.

Postulate about the spontaneous evolution

As it was mentioned in Introduction, the quantum state () of the representative member of the quantum ensemble can be changed via two essentially dierent ways: by the spontaneous evolution (U-process) and in the act of quantum measurement (R-process). In the analysis of the spontaneous evolution, we start from the fact that the quantum ensemble is prepared in the state ( ) = in the initial time = . If the interaction 6

of the ensemble of particles with the measuring device is absent for > , then the state () evolves causally and continuously according to the law ( , )( ). () = ( , ): The equivalent way to express the process is via the evolution operator ( , ) = exp (),

(II.4)

(II.5)

() is the Hamiltonian of the micro particle from the ensemble. In Fig. II.A.2 where we present schematically the spontaneous evolution of the quantum state (), along the arrow of time directed from the past toward the future. Let us note that the only the

Figure II.A.2: Schematic presentation of the spontaneous evolution of the quantum state () of the quantum ensemble

information about the past of the quantum ensemble are incorporated into the state (); the information about the possible future is not present in the time . From the mathematical point of view, for the systems described by the hermitian Hamil ( , ) is the unitary operator, i.e., = 1 , where tonians, the evolution operator 1 is the inverse operator of the operator . Under the described conditions, the spon taneous and causal evolution of the state () occurs without the change of the norm () + ()(), i.e., () = 0. (II.6) The physical interpretation of the condition (II.6) is connected with the conservation of the probability for the particle to belong to the given isolated physical system. 7

 () is not hermitian. This We point out that in some physical situations, the operator is the case when the particle belongs to the open system, which is only the subsystem of the larger system. On the base of Eq. (II.5) we can conclude that the corresponding evolution ( , ) for = is not the unitary operator. Therefore, despite of the fact that operator the spontaneous evolution of the quantum state of the nonhermitian systems is causal and continuous, the norm () become time dependent, and the condition (II.6) breaks down. The dierential form of the time evolution is given by () ()(). = (II.7)

The former equation has to be considered together with the known initial condition ( ) = . In the coordinate representation, the state of the quantum particle is described by the wave function ( , ) = (), which satisfy the Schr odinger equation: ( , ) ( = , )( , ), (II.8)

is given by expression (II.2). where the Hamiltonian

4.

Postulate about the quantum measurement

All information about the quantum system (particle) at the time > can be obtained in the act of quantum measurement. Like to the preparation of the quantum system, the at the time represents the interaction of the measuring procedure of the observable quantum system with measuring device. In this study we restrict ourselves to the case of strong quantum measurements in which the interaction is instantaneous and strong. In the measuring process the quantum state acausally jumps into another state by the process known as the reduction of quantum state (proces). The result of quantum measurement can be predicted only with some probability. The probability that the measuring , for the system in the state , gives the eigenvalue is given by the of the observable von Neumanns expression: ( ) , () = () 2 = () (), ,

(II.9)

where it is assumed that the state is of the unit norm. If we introduce the projection = , the probability can be expressed in the following way: operator ( ) , () = () (). , (II.10) 8

The reduction of the quantum state, i.e., the quantum jump () in the act of quantum measurement in the time , enables the repeating measurement with unit prob( ) ( ) , ( + ) = , , = 1. The described reduction of ability. That is, ,

Figure II.A.3: Schematic presentation of the reduction of quantum state in the act of selective quantum measurement in the time

quantum state is given in Fig. II.A.3. The general expression (II.10) obtains a specic form when it is applied to the measurement of the position of quantum particle. That is, the probability that the measurement of gives the value from the volume is given by: the position ( ) , (), , () = () where =

(II.11)

. (II.12)

Inserting the expression (II.12) in Eq. (II.11) we get: = () () = ( , )2 .

(II.13)

The physical interpretation of the quantity ( , ) = ( , )2 is straightforward from Eq. (II.13): namely ( , ) represents the probability density, i.e., the probability per unit volume.

II.B.

The principles of quantum teleology

[28]: Lj. D. Nedeljkovi c and N. N. Nedeljkovi c, Quantum Teleology of the IonSurface Interaction, The Physics of Ionized Gases, Invited lectures, topical invited lectrures and progress reports, Ed. N. Bibi c, T. Grozdanov and M. Radovi c, p.219-230

1.

Denition of the teleological ensemble

In Sec. II.A we considered the general principles of quantum mechanics, formulated for the conventional quantum ensemble. The quantum teleology, however, is based on the dierent kind of ensembles, the teleological ensemble. The teleological, time-symmetrized ensemble consists of suciently large number of quantum particles with the known both the initial and the nal states. In Fig. II.B.1 we present schematically the formation of this kind of ensemble. The set of suciently large number

Figure II.B.1: Schematic presentation of the formation of the teleological quantum ensemble

of microparticles interact in the initial time with the measuring device (lter), for selec with nondegenerate spectrum of the eigenvalues . tive measurement of the observable Instantaneously after the preselection test, the all particles which pass through the lter in Fig. II.B.1 are in a given eigenstate of the measured observable. In the nal future is performed, also time an another postselective measurement of another observable with discrete spectrum of the eigenvalues. After the postselection test, al particles which are in the given eigenstate of the measured observable. pass through the lter Only those particles that survive both the preselection and postselection tests belong to the time-symmetrized ensemble, see Fig. II.B.1. In that sense, any single particle of that 10

ensemble manifests a teleological behavior during the time interval ( , ): its quantum state evolves toward the given nal state . In contrast to the conventional quantum ensemble, given in Fig. II.A.1, for the teleological ensembles, not only the initial state in the time , but also the nal time in the time are xed. The teleological ensemble behaves as a time-symmetrized set of particles; namely, both the information about the past and the future are incorporated in the state of the the system (representative member of the ensemble) at the intermediate time . Of course, from the standpoint of the arrow of time directed from the past toward the future, the decision whether the particle is the member of the teleological ensemble or not can be obtained only after the postselection test is performed. Like in the case of conventional quantum mechanics (Sec. II.A), the teleological quantum ensemble can be the space-like as presented in Fig. II.B.1 and the time-like one. In the case and of time -like enesmble the one by one particle is transferred through the lters in Fig. II.B.1. Only the particles that has been in the state in the time and in the state in the time belong to the teleological ensemble. Under these conditions the experimentalist can uniquely determined which particles belong to the ensemble and which do not.

2.

Postulate about the quantum states and quantum observables

The essential question in connection with the teleological ensembles is how to dene the quantum state in the time ( , ). An idea how to resolve the problem has been given by Aharonov, Bergman and Lebowitz in their article from 1964. [3], in which the time-symmetrized quantum mechanics has been rstly formulated. An explicit proposal has been given in the 1990. [4, 13] by Aharonov and Vaidman; the appropriate mathematical formalism is given by Reznik and Aharonov in the 1995. [5]. According to the Aharonov-Vaidmans proposal [4], in order to describe completely the instant quantum state of the teleological ensemble, it is necessary to use two vectors {1 (), 2 ()}, (II.14)

bearing the information about the initial and the nal state of the system. These two vectors considered as a pair dened the twostate. Using the ket-vector 1 () and bra-vector 2 () 11

it is possible to constitute the twostate of the Reznik-Aharonov general formalism, which is the operator in structure: 1 ()2 (). The so dened twostate is analogous to the pure state of the conventional quantum mechanics. Within the framework of the time-symmetrized quantum mechanics (quantum teleology), the very denition of the physical quantity remains the same as in quantum mechanics. That is, they are dened by the selfadjoint operators, whose eigenvalues represent the possible values of the considered quantities.

3.

Postulate about the spontaneous evolution

The two vectors 1 () and 2 (), which constitute the twostate, evolves within the framework of two scenarios: from the initial state and toward the nal state, respectively, see Fig. II.B.2. The state vector 1 () represents an ordinary quantum state vector

Figure II.B.2: Schematic presentation of the spontaneous evolution of the twostate of the teleological quantum ensemble

evolving causally from the initial state (prepared in the time = ) toward the future > . On the other hand, the second (additional) state vector 2 () evolves teleologically toward the xed nal state , postselected at the time . In this study we shall assume that the time evolutions of the states 1 () and 2 (), within the rst and the second scenario, respectively, are governed by two dierent hermitian 12

 1 () and 2 (), for ( , ). These Hamiltonians (in and out Hamiltonians Hamiltonians) correspond to the incoming and outgoing channels for the quantum particle in the eld of two moving subsystems. Such a situation appears when we apply the quantum teleology to the electron exchange in the ion-surface system [1417, 2024] that will be consider in Sec. IV. The relevant pair of evolution equations for the states 1 () and 2 () is given by 1 ( , ) 1 () = 2 ( , ), 2 () = (II.15a) (II.15b)

1 ( , ) and the 2 ( , ) are the corresponding evolution operators. For the where the evolution operators we have the following expressions: 1 ( , ) = exp 1 () ,

(II.16a)

2 ( , ) = exp

2 () . (II.16b)

Eq. (II.15b) expresses the basic statement of the quantum teleology; namely, via the state 2 () the information about the fact that only a fragment of particles will satisfy the postselection test at the time . Dierential forms of the evolution laws are also formulated within the framework of two scenarios: where 1 ( ) = , and 1 () 1 ()1 (), = 2 () 2 ()2 (), = (II.17a)

(II.17b)

where 2 ( ) = . We note that the law of the spontaneous evolution can be also formulated for the twostate 1 ()2 (). In the coordinate representation, the state of the teleological quantum particle (electron) is described by the pair of wave functions {1 ( , ), 2 ( , )}. (II.18)

13

These functions satisfy the corresponding Schr odinger equations: ( , ) ( = , ) ( , ), = 1, 2, (II.19)

( where the Hamiltonians , ) are given by Eq. (II.2), in which the potential energies ( , ) are dierent for the rst and the second scenario ( = 1, 2, respectively). Within the framework of the ion-surface interaction problems, these Hamiltonians are denoted as in and out Hamiltonians. We note that this notation is used only to point out that 1 is introduced within the rst scenario in which the initial condition is the Hamiltonian 2 is used within the second scenario, in which the wave dened, and that the Hamiltonian function is postselected. These terms have not the same meaning as in the scattering theory.

4.

Postulate about the strong measurement

All information about the teleological physical system are obtained via the appropriate measurement. The predictions about the results of measurement are dierent in comparison to the standard quantum mechanical ones because the teleological ensemble of particles is time symmetrized. As in the case of standard quantum mechanics, the measurement on the teleological ensemble represents an interaction of the measuring device with the quantum particles. manifests in the corInformation about the numerical value of the measured observable responding changes of the measuring device that are conventionally reduced to the changes of the position and the momentum of the pointer of the measuring device. The main characteristic of the measurement on the teleological ensembles is the fact that the particles of the ensemble pass both the preselection and postselection tests. In Fig. II.B.3 we present on the teleological ensemble. We point schematically the measurement of the observable corresponds only to those microparticles out that the measured value of the observable of the ensemble with a given initial state and a given nal state . From the standpoint represents an reconstruction of the of the time , the measurement of the observable past of the teleological system. is the so called strong The usual type of quantum measurement of the observable measurement. This is the measurement performed during the short time interval via the strong interaction of the element of the ensemble with the measuring device. The strong 14

Figure II.B.3: Schematic presentation of the measurement on the teleological ensemble

measurements on the teleological ensemble (or on the standard quantum ensemble discussed in Sec. II.A.4) have the probabilistic character. We recall that the probability of the results of the standard quantum measurement are given by the von Neumanns expression given by Eq. (II.9); the measurement induces the irreversible reduction of the quantum state (-process): , as in Fig. II.A.3. is performed on the teleological ensemble, If the measurement of the same observable instead of expression (II.9), the probability is given by Aharonov - Bergman - Lebowitzformula [3]: ( ) , 1 (), 2 () = 2 () 1 ()2 , , (II.20)

where is the corresponding normalization constant. The strong measurement on the teleological ensembles are reversible. That is, starting from the initial state we arrive to the state , and vice versa, via the state , see Fig. II.B.4. Let us note that, instead of the strong measurement, the measurement on the teleological ensembles can be weak [6]. The character of the week measurement is nonprobabilistic (nonstatistical). As a results of these measurements we obtain the so called weak values 1 /2 1 of the measures observable , for the system in the two-state = 2 {1 , 2 }. The weak measurement can give some very interesting information about the physical system [710], see Introduction, but it is out of the scope of the present study.

15

Figure II.B.4: Schematic presentation of the reversibility of the measurement on the teleological ensemble

III.

THE MIXED FLUX Flux in quantum mechanics

III.A. 1.

Dierential form of the quantum continuity equation

The laws of the spontaneous evolution of the conventional quantum ensemble are given by Eqs. (II.4) and (II.5) in the integral form. The corresponding dierential forms are expressed by the Schr odinger equations (II.7) and (II.8), within the framework of the abstract formalism and in the coordinate representation, respectively. The evolution of the physical system can be also expressed via the continuity equation. = ), it is straightforward to prove the following That is, for the hermitian systems ( relation: ( , ) + div ( , ) = 0 , tity [ ( , )( , )) ( , ) ( , )] ( , ) = 2 represents the quantum current density. 16 (III.1b) (III.1a)

where ( , ) = ( , )2 is the probability density, introduced in Section II.A.4. The quan-

To prove the validity of Eq. (III.1a) we start from the Schr odinger equation (II.8): ( , ) ( = , )( , ), (III.2a)

and the corresponding conjugate form: ( , ) ( = , ) ( , ). (III.2b)

Multiplying Eqs. (III.2a) and (III.2b) with ( , ) and ( , ), from the left, respectively, and added the so obtained expressions we get: [ ] ( , ) ( , ) ( , ) + ( , ) = ( ( = ( , ) , )( , ) ( , ) , ) ( , ). Taking into account that ( , ) ( , ) [( , ) ( , )] = ( , ) + ( , ) , Eq. (III.3) can be expressed in the following form: ( ( [( , ) ( , )] = ( , ) , )( , ) ( , ) , ) ( , ) . (III.5) (III.4)

(III.3)

Using the explicit form of the Hamiltonian expressed by Eq. (II.2), for the right side of Eq. (III.5) we get = i.e., =
2 2 2 + 2 , + 2 2

(III.6a)

2 2 2 ( 2 ) = ( ). 2 2 2 [( , ) ( , )] = [ ]. 2

(III.6b)

Inserting Eq. (III.6b) in expression (III.5) we obtain: (III.7)

Using the denition relations for and , the obtained equation (III.7) can be expressed in the form of quantum continuity equation given by Eq. (III.1a). We point out that the quantity ( , ) is not dened uniquely by Eq. (III.1b). That is, the continuity equation (III.1a) is invariant (has the same form) under the transformation ( ( , ) , ), where ( , ) = ( , ) + grad( , ) , 17 (III.8a)

whereas ( , ) is an arbitrary (continuous and dierentiable) function of the variables and . Under the mentioned conditions we have div grad( , ) = 0, so that ( div , ) = div ( , ). (III.8b)

In other words, formula (III.1b) denes the quantum current density up to an arbitrary additive term grad( , ). The continuity equation (III.1a) is also invariant under the so called phase transformation, i.e., under the following transformation of the wave function ( , ): ( , ) ( , ) = ( , ), (III.9)

where is an arbitrary real constant. Indeed, performing the transformation (III.9) we get: ( ( , ) = ( , ) , ) = ( , ) ( , ) = ( , ) and ( , ) = ( ) 2 ] [ = ( , ) ( , ) ( , ) ( , ) 2 = ( , ), so that ( , ) ( + div , ) = 0 .
2. Integral form of the quantum continuity equation

(III.10a)

(III.10b)

(III.10c)

Eq. (III.1a) describes the local characteristic of the quantum probability density ( , ) and quantum current density ( , ). This equation can be transformed into the corresponding integral form by the standard mathematical procedure. For that purpose, we introduce the deformable volume (), bounded by the surface (), Fig. III.A.1, i.e., we assume that the volume is changed during the time . Performing the integration of Eq. (III.1a) over the volume (), we get: ( , ) = div ( , ).
() ()

(III.11)

18

Figure III.A.1: Volume () and surface () in the time

By applying the Gauss-Ostrogradskis theorem: = div

() ()

(III.12)

and the volume integral of the that connects the surface integral of the vector function , Eq. (III.11) can be expressed in the following form: divergence of the same function
()

( , ) =

( , ). (III.13)

()

In order to obtain the standard integral form of the quantum continuity equation, we use the following relation: ( , ) + div( ) + 0 , ( , ) =
() () ()

(III.14)

, with position where ( , ) is the velocity of the surface element , see Fig. III.A.1. Factor 0 in Eq. (III.14) depends on the boundary conditions for the function . Using Eqs. (III.13) and (III.14), we get: ( , ) = ( , ) + div( ) + 0 ,
() () ()

(III.15a)

19

so that, applying the Gauss - Ostrogradskis theorem to the second term of Eq. (III.15a), [ ] + 0 . ( , ) = ( , ) ( , ) (III.15b)
() ()

The appearance of the vector = ( , ) ( , ) in the right hand side of Eq. (III.15b) is characteristic for the considered case of deformable volume = (). For the nondeformable volume ( = 0) we have = . Quantum continuity equation expressed by Eq. (III.15b) has the simple physical inter pretation in the case 0 = 0. That is, ( , ) represents the probability () that the
()

quantum particle is inside the volume () in the time , see Eq. (II.13). Therefore, the left hand side of Eq. (III.15b) can be considered as the quantum rate (probability per unit time) () = ()/. If the particle (representative member of the ensemble) leaves the > 0. volume () in the time , than () < 0, and according to Eq. (III.15b),
()

Thus, the quantum current density can be considered as the probability current density , see Fig. III.A.1. In the case that the particle enters the volume () in the direction of < 0; the quantity we have () > 0 and has the same interpretation as before,
()

. i.e., it represents the probability current density in the direction of The integral form of the quantum continuity equation (III.15b) can be expressed in the following general form: () = ( , ) = () + 0 ,
()

(III.16a)

where () is the quantum ux of the vector through the surface (): [ ] () = ( , ) ( , ) .

()

(III.16b)

3.

Quantum ux through the moving Firsov plane

For the following analysis of the interactions with the solid surface, i.e., the electron exchange between the moving ion and the solid, it is important to consider one special case of relation (III.16b). That is, the volume () has to be considered as semi-innite, bounded by the so called Firsov plane perpendicular to the axis, like in Fig. III.A.2. 20

Figure III.A.2: Firsov plane and coordinate systems and

For example, volume can be considered as ionic region at the time , while the solid is located in the region < 0. We shall analyze the continuity equation from the two coordinate systems: the system : {, , }, and the system : { , , } moving with velocity along the axis of the system ; the distance between the two coordinate systems (along the axis) is changed in time according to the classical law: = (); = /, see Fig. III.A.2. Within the framework of the former example, the systems and are located at solid surface and the moving ion, respectively. In the considered case, for the velocity of the moving Firsov plane we have / = / = 1 . (III.17a)

21

Taking into account that 1 = / = , see Fig. III.A.2, we get: ( ) ( ) ( ) / = = = 1 . considered semiinnite volume (), the quantity 0 = 0, we obtain: ( ) ] [ = (). ( , ) = ( , ) ( , ) 1
() ()

(III.17b)

By inserting Eq. (III.17b) into Eq. (III.16b), and taking into account that for the

(III.18a)

On the base of the former expression, for the quantum ux () of the total probability current density through the moving Firsov plane we obtain the following explicit expression: ( ) ] [ 2 () = 1 . (III.18b) 2
()

We note that the wave function in Eq. (III.18b) is considered from the system . The wave function considered in the moving coordinate system and the wave function considered from the system are connected by the appropriate Galilean translation factor that will be dened in Sec. III.A.4. By the appropriate generalization of the expression (III.18b) for the quantum ux () when we pass from the conventional quantum mechanics to the quantum teleology, we obtain the so called mixed ux. This quantity represents the basic physical quantity of the quantum teleology of the ion-surface system.

4.

Galilean translation factor

For the application of the quantum mechanics (and quantum teleology) to the problems of electron capture into the eld of the moving ion, it is necessary to consider the wave function of the quantum particle (electron) from the two coordinate systems and . In the simplest case, the classical kinematics of the particle in and is connected via the Galilean transformations, which represents the transformations when the system moves (in respect to ) with constant velocity . We shall also consider the more general case by examining the extended Galilean transformation (EGT), for the arbitrary time-dependent acceleration of one system in respect to another [stavi Ref]. The EGT between the coordinate system and is given by (), = 22 = , (III.19a)

where the position in the systems and are denoted by the vectors and and = is the unique time in the both systems, see Fig. III.A.2. On the base of Eq. (III.19a) we obtain and and the partial time derivatives / the following relation between the operators and / : = . = (III.19b) acts only on the functions Relation (III.19b) is a consequence of the fact that operator = , of the position variables, but the time derivatives as operators act on the functions of the position and time. For example, for = () , taking into account that = , = / where / = , and that = , we have = ; expressing via
= / = . On the we have = ( ) , so that = =

other hand, we have / = ; expressing via we have = ( ( )) so that . / = ( /) = ( + ) = / + / = / When we apply the EGT to the Schr odinger equation (II.8) in the coordinate representa ( is given by expression (II.2), tion: ( , )/ = , )( , ), where the Hamiltonian and taking into account the invariant character of the potential energy ( , ) = ( , ), we get ] [ ] 2 2 ( , ) = + ( , ) ( , ), 2 [ (III.20)

term by expressing the function in where = . One can eliminate the unwanted the following form:
( , ) = (
, )

( , ),

(III.21)

Factor ( , ) represents the extended Galilean translation factor. Inserting Eq. (III.21) into Eq. (III.20) we get = + +

2 2 2 2 2 2 2 + ( ) + ( , ) . (III.22) 2 2 2 2 , taking that ; i.e. One can chose such as to eliminate the term = = . The solution of the dierential equation (III.23) is given by ( , ) = + ( ), 23 (III.24) (III.23)

where () is an arbitrary function of the time = . With the function given by Eq. (III.24) and taking into account that = / and 2 = 0, from Eq. (III.22) we get the relation ( ) ( ) + + + = = 2 ( )2 2 2 + ( , ) , 2 2 (III.25)

that can be expressed in the form of the Schr odinger equation in the coordinate system : + 2 2 1 = + ( , ) + 2 + . 2 2 (III.26)

It is convenient to chose the function () such as to eliminate the last two terms on the right hand side of Eq. (III.26). From this condition we obtain the dierential equation / = 2 /2, with a solution ( ) = 2

2 . (III.27)

With the former expression, the extended Galilean translation factor is given by the following expression: ( , ) = + 2

2 . (III.28)

The obtained form of the Schr odinger equation in the coordinate system + 2 2 = + ( , ) + . 2 (III.29)

shows that in the accelerated system there appears a gravitation eld, i.e., the potential energy ( /) is added to the potential energy ( , ). The Galilean translation factor is also dierent for the accelerated systems in comparison to the constant velocity case. That is, for the = the Galilean factor is given by ( , ) = + 2 , 2 (III.30)

and the Schr odinger equation in the coordinate system + 2 2 = + ( , ) 2 (III.31)

has the same form as in the system . 24

III.B. 1.

Mixed ux in quantum teleology

Dierential form of the continuity equation in quantum teleology

The physical quantities such as probability density, quantum current and the ux can be also dened within the framework of quantum teleology. Instead of the single vector used for description of the state in quantum mechanics, in quantum teleology we have the twostate, i.e., the pair of states 1 and 2 , see Eq. (II.14). The states 1 and 2 (in the coordinate representation) evolves according to the equation (II.19). The continuity equation (III.1a) which connect the probability current density and the density of states in quantum mechanics can be also formulated in quantum teleology, but for the corresponding teleological quantities: the twocurrent density 12 and the twostate density 12 . The wave functions 1 ( , ) and 2 ( , ) of the teleological system with two hermitian ( ( Hamiltonians , ) = , ), evolves within the rst and the second scenario ( = 1, 2) according to the following laws: 1 ( , ) 1 ( = , )1 ( , ) , ) 2 ( 2 ( = , ) , ). 2 ( (III.32a) (III.32b)

Following the procedure of the Sec. III.A.1, we multiply Eq. (III.32a) with , ), and Eq. 2 ( (III.32b) with 1 ( , ); by adding the second of the so obtained expressions to the rst one we get ] , ) 2 ( + 1 ( , ) = 1 ( 2 ( = , ) , )1 ( , ) 1 ( , ) , ) , ), 2 ( 2 ( 1 ( , ) , ) 2 ( i.e., 1 ( 2 ( [ , )1 ( , )] = , ) , )1 ( , ) 1 ( , ) , ) , ) . 2 ( 2 ( 2 ( (III.34) [

(III.33)

, = 1, 2, Eq. (II.2), with potential energies Using the explicit form of the Hamiltonians 1 and 2 , we get = 2 2 ( 1 1 2 2 ) + (1 2 ) 1 2 , 2 2 25 (III.35a)

i.e.,

2 ( 2 1 1 2 ) + (1 2 ) 1 2 . 2 Inserting the expression (III.35b) into Eq. (III.34) we have = 2 [2 ( , )1 ( , )] = ( 2 1 1 2 ) + (1 2 ) 1 2 . 2

(III.35b)

(III.36)

The obtained relation (III.36) has the form of the generalized continuity equation: 12 ( , ) + div 12 ( , ) + 12 ( , ) = 0 , where , ), 12 ( , ) = 1 ( , ) 2 ( and 12 ( , ) = [ ( , )1 ( , ) 1 ( , ) , )] . 2 ( 2 2 we denoted the following quantity 12 ( , ) = (1 2 ) 12 ( , ). (III.38b) (III.38a) (III.37)

By 12

(III.38c)

In the analogy with the quantum quantity ( , ) = ( , ) ( , ), the teleological quantity 12 ( , ) = 1 ( , ) , ) is called the two-state density or two-amplitude. The introduced 2 ( vector 12 ( , ), the so called two-current density, plays a specic role in quantum teleology. The quantity 12 , appearing in the right hand side of the teleological continuity equation, is 1 and 2 , respecthe consequence of the dierent forms of the in and out Hamiltonians, tively, used for description of the quantum events within the framework of two scenarios [stavi referencu].

2.

Integral form of the continuity equation in quantum teleology

By the standard mathematical procedure, already used in Section III.A.2, the dierential form of the continuity equation of quantum teleology, Eq. (III.36), can be expressed in the corresponding integral form. The problem will be considered in the coordinate system dened in Fig. III.A.1. Performing the integration over the deformable volume () (bounded by the surface ()), we get
()

12 ( , ) =

div , ) 12 (

12 ( , ).
()

(III.39)

()

26

Due to the possible deformation of the volume during the time, the left-hand side of Eq. (III.39) can be expressed in the following form: 12 ( , ) = 12 ( , ) div(12 ) 0 ,
() () ()

(III.40)

so that Eq. (III.39) become 12 ( , ) = div 12 ( , ) + div(12 ) 12 ( , ) + 0 . (III.41)

() () () ()

Finally, applying the Gauss-Ostrogradskis theorem, we get [ ] 12 ( , ) = 12 ( , ) 12 ( , ) 12 ( , ) + 0 .

() () ()

(III.42)

The former equation represents the teleological continuity equation in the integral form, for the considered case of the quantum teleology with two dierent scenarios and for the deformable volume (). In Eq. (III.42) the time derivative of the volume integral of the two-amplitude 12 is connected with the surface integral (ux) of the twocurrent density 12 = 12 12 . We recall that in quantum mechanics the quantity ( , ) = ( , )2 represents the probability per unit volume (probability density), i.e., it is the probability for a particle to be located in the volume at the position . The probability for the volume is given by Eq. (II.13) as () = ( , ) . In Sec. III.A.2 it was demonstrated that the quantum current
()

has the meaning of the probability current density in a direction of the surface density , where 0. element
()

The situation becomes more complicated when we tray to give a statistical interpretation of the teleological expression (III.42). The main problem is in the fact that 12 ( , ) and 12 ( , ) are the complex quantities. In what follows we shall see that the teleological continuity equation reects the main specic features of the particle localization problem under the teleological conditions. The problem will be formulated in terms of the so called mixed ux 12 . The mixed ux follows from Eq. (III.30) expressed in the form analogous to Eq. (III.16a): 12 ( , ) = 12 () + 12 () + 0 , (III.43a)
()

27

where the mixed ux 12 () stands instead of ux (). By denition, [20]: [ ] 12 () = 12 ( , ) 12 ( , ) .

()

(III.43b)

We note that the time derivative of the volume integral of the two-amplitude is equal to the mixed ux 12 , to which the quantities 0 and 12 are added, where 12 = 12 ( , ).
()

(III.43c)

3.

Mixed ux through the moving Firsov plane

In the next step we consider the special case of the semi-innite deformable volume (), bounded by the Firsov plane perpendicular to the axis, as in Fig. III.A.2. In the considered case, according to Eq. (III.17b), the velocity of the Firsov plane is given by: = (1 /) . Taking into account that the boundary surfaces of the volume () complemental to the plane are at innity, we have 0 = 0. Furthermore, in the concrete physical problems within the electron exchange in the ion-surface system, the volume () will be considered as ionic region, in which the potential energies 1 and 2 of the rst and the second scenario, respectively, are equal; thus 12 = 0. Under the mentioned conditions, Eq. (III.43a) obtains the following form: 12 ( , ) = 12 (),
()

(III.44a)

where 12 () represents a mixed ux through the moving Firsov plane [22]: ( ) ] [ 1 2 2 12 () = 1 1 2 . 2 1 2

(III.44b)

The obtained expressions (III.44a) and (III.44b) represent the basic formulas for the further analysis of the localization of quantum particle (electron of the mass ) under the teleological conditions. In the atomic units we have = 1 a.u. and = 1 a.u., so that the expression (III.44b) for the mixed ux reads: ( ) ] [ 1 2 12 () = 2 1 1 2 . 2 1 2

(III.45)

28

III.C. 1.

Teleological probability amplitude and probability

Teleological probability amplitude 12 ()

The most important question that arises within the framework of the quantum teleology is the following: what is the probability of the quantum event in the intermediate stages of the twostate evolution, i.e., in the time [ , ]. The specic, and very important intermediate event that will be considered in this study is the spatial localization of the quantum particle. The corresponding probability is closely related with the teleological probability amplitude 12 () (two-state probability amplitude) [1417, 2022]. , describing the particle within the volume is given by Eq. The projection operator . By denition, = (II.12): where is the eigenvector of the position operator 2 () is the teleological probability amplitude 12 () for the transition 1 () given by: 1 (). 12 () = 2 () (III.46)

The introduced complex time dependent quantity 12 () describes the quantum event () in the time ( , ). For the system preselected in the state , and post ( , ) and 2 () = ( , )). selected in the state , we have that 1 () = To connect the probability amplitude 12 () with ABL probability, we recall that for on the teleological ensemble the probability is the measurement of the observable ( ) , 1 (), 2 () = given by Aharonov - Bergman - Lebowitz- formula (II.20): , 1 () , where = is the corre 2 () 1 ()2 = 2 () sponding projection operator. Therefore, the probability amplitude is proportional to the 1 . Eq. (III.46) corresponds to the case = , and for the unit quantity = 2 value of the constant of proportionality. With this choice, the nal teleological probability will coincide with the expression of the standard quantum mechanics. In the considered case we have that = 12 2 . Expression (III.46) has the following form in the coordinate representation: 12 () = 2 () 1 () = 2 () 1 (),
2

(III.47a)

29

i.e., 12 () =

1 ( , ) , ). 2 (

(III.47b)

Expressed via the twoamplitude 12 , formula (III.47b) obtains the following form: 12 () = 12 ( , ). (III.47c)

In the limiting case when the volume overcomes to the volume of the entire space we have:

= lim

= ,

(III.48a)

is the identity operator. Thus, for , from Eq. (III.46) we get: where

lim 12 () = 2 ()1 () 12 .

(III.48b)

The quantity 12 = 2 ()1 () represents the transition amplitude for 1 () 2 () in the standard quantum mechanics.

2.

Teleological amplitude 12 () via the mixed ux 12 ()

The teleological amplitude 12 () which is (in the coordinate representation) expressed Eq. (III.47c), can be connected with the mixed ux 12 (). In what follows we shall assume that the conditions 12 = 0 and 0 = 0 are nullied. To obtain the relation between the quantities 12 () and 12 (), we consider the time derivative of the 12 (). On the base of Eqs. (III.47c) and (III.44a) we obtain 12 () = 12 ( , ) = 12 ().
()

(III.49)

In order to solve the former equation, we assume that 12 ( ) = 0, (III.50a)

what corresponds to the physical situation in which the quantum particle is outside of the volume ( ) in the initial time . For this situation the overlap integral is equal to zero: 12 ( , ) = 0.
( )

(III.50b)

30

Using the initial condition (III.50a), dierential equation (III.49) has the following solution: 12 () =

12 ().

(III.51)

Let us note that that there is an essential dierence between the quantum von Neumanns and the teleological ABL- formulas for the probability. For example, form Eq. (III.16a) (for 0 = 0) we have () ( , ) / = (), i.e., the quantum ux () of the vector is equal to the quantum rate () (probability per unit time). On the other hand, the similar relation can not be formulated in quantum teleology. That is, using Eq. (III.49), the mixed ux can be consider as the teleological amplitude rate (probability amplitude per unit time), but can not be identied with the teleological rate (teleological probability per unit time).

3.

Teleological probability and teleological rate via the mixed ux

Using the relation between the teleological amplitude and the mixed ux expressed by Eq. (III.51), we can express the teleological probability and the teleological rate via the mixed ux. The teleological probability that the quantum particle (element of the teleological ensemble, electron in the ion-surface system) in the time is inside the volume () is given by: ( (); 1 ( , ), 2 ( , )) = 12 ()2 =
2

12 () ,

(III.52a)

where the mixed ux 12 is given by Eq. (III.45). The teleological rate 12 , i.e., the teleological probability per unit time, is given by: 12 () = ( (); 1 ( , ), 2 ( , )) . (III.52b)

The quantity 12 can be also expressed via the mixed ux. That is, using Eq. (III.52a), we get 12 () = 12 ()
2

2 Im12 () . (III.52c)

Re12 () +

31

In the nal time , Eq. (III.52a) for the teleological probability become ( ) 1 ( )2 . ( ( ); 1 ( , ), 2 ( , )) = 12 ( )2 = 2 ( ) (III.53a) Under the condition that the wave function 2 ( , ) is mainly localized in the volume ( ), we have: ( ) 2 ( ) 2 ( ). (III.53b)

In this case, the teleological probability overcomes to the transition probability 12 = 12 2 for the transition 1 ( ) 2 ( ) of the standard quantum mechanics:
12 () . = 2 ( )1 ( )2 = 2

( ( ); 1 ( , ), 2 ( , )) 12

(III.53c)

In other words, under the mentioned conditions, in the nal time the teleological predictions (the probability that the quantum particle described by the twostate {1 ( ), 2 ( )} is localized in the volume ( ) coincide with the prediction of the standard quantum mechanics (the transition probability from the state 1 ( ) into the state 2 ( )). The formula (III.53c) expresses one important property of the mixed ux 12 (); namely, the modulo squared of the mixed ux integrated over the time from the = to the time = gives the probability 12 . This was the central idea of the Demkov and Ostrovskis formulation of the electron exchange process during the scattering of the atom on the positive ion, see Introduction. The advantage of the expression (III.53c) is in the fact that it is sucient to calculate the surface integral (mixed ux 12 ()), instead to calculate the volume integral 1 2 . The most important role of the mixed ux is in the analysis of the intermediate stages of the quantum events, in the time ( , ). This will be the central subject of this study, when the electron exchange between the solid surface and the moving ion is considered. Using the concept of the weak values of the observable, one can obtain the relation . We note that the weak values between the mixed ux 12 () and the projection operator = 2 1 /2 1 are the (non-probabilistic) results of the weak of the observable is given by measurement on the teleological ensemble. The weak value of the observable ( )

1 () 1 () 2 () 2 () = , 2 ()1 () 12 32

(III.54a)

where we introduced the notation 12 = 2 1 = . Eq. (III.54a) expressed via the teleological amplitude obtains the following form: ( )

12 () , 12

(III.54b)

so that, taking into account Eq. (III.49), we can express the mixed ux 12 () in terms of : the time derivative of the weak value of the projection operator ( ) 12 () = . 12 The possible importance of the obtained relation is still an open question. By the the obtained relations between the teleological probability and the teleological rate 12 with the mixed ux 12 we complete our teleological formulation of the problem of the volume (space) localization of the quantum particles (electron) in the time interval , ]. The basic quantities and formulas of the teleological model are given in Appendix 1. (III.54c)

33

IV.

INTERACTIONS IN THE ION-SURFACE SYSTEM Asymptotic interaction potentials

IV.A. 1.

Image potentials

The rst step in the quantum description of the electron exchange between the moving atomic projectiles (atoms, ions, etc) and the solid surface is the denition of the Hamiltonian of the system. For this, it is necessary to know the classical potential energy of the interactions in the system. In this study we shall consider the one-electron processes, i.e., we consider the one active electron in the ion-surface system. We note that the dynamics of the atomic projectiles (that will be treated classically) determine the quantum exchange of the electron between the atomic projectiles and the surface; also the quantum state of the electron inuences the projectile motion, so that the electron state and the projectile motion must be taken into account simultaneously. The eective interaction of the moving point charge with conduction solid surface (metal) is the rst step in determination of the interactions in the ion-surface system. In the case of electron we have = = 1 a.u.; for the interaction of the ion + with the surface we have = , i.e., = a.u, etc. At asymptotically large distances of the charge from the surface, the many body response of conduction electrons of the surface instantaneously follow the changes induced by the moving charge. The surface become polarized; in the electrostatic approximation the interaction of the charge with polarized surface can be described by the interaction of the with its self-image . The potential energy of the corresponding (self-image) interaction in the system of units where 1/40 = 1 is given by () = 2 . 4 (IV.1)

The criterion of validity of Eq. (IV.1) will be given in connection with the analyze of the collective response of the surface to the external charge moving near the surface. We note that the denominator of Eq. (IV.1) is of the form 2 2; namely, the image of the charge (located in the solid at distance from the surface) moves together with the charge , so = grad , where = 2 /42 that the relation , leads to the expression (IV.1). The expression (IV.1) can be used to dene the interactions of the active electron with

34

Figure IV.A.1: Image forces for the electron in the ion-surface system

the ion-surface system in the electrostatic approximation. Outside the solid, the active electron interacts with the ionic core of the charge = a.u. (positioned at the ion-surface distance = ()) and the polarized solid, see Fig. IV.A.1. The potential energies of these interactions will be denoted by and , respectively. In the electrostatic approximation the potential energy is due to the self-image interaction of the active electron and the interaction of the electron with the ionic core image. The potential energy of the electron self-image interaction is given by Eq. (IV.1): () = 1/4 , see Fig. IV.A.1. During the electron movement, the core image is xed, so that the potential energy of the electron ( )1/2 interaction with the core image is given by ( ) = /, where = ( + )2 + 2 , see Fig. II.A.1. The total surface potential energy (equal to the electronic image potential in the atomic system of units) of the active electron is given by ( , ) = 1 + 4 ( + ) +
2

, 2

(IV.2)

where =

2 + 2 is the radial coordinate of the active electron.

In the electron exchange process in the ion-surface system, the active electron can be both outside the solid ( > 0) and inside the solid ( < 0). The electron potential energy

35

represents a continuous function = + + , where = () ( ) 0 ( ) and = ( ) ( ), (IV.3b) (IV.3a)

where ( ) = 1 for > 0 and ( ) = 0 for < 0. Inside the solid the potential energy is given in Sommerfeld model. It represents the mean potential = 0 of the periodic Coulomb interaction with ions of the solid crystal structure, see Fig. IV.A.2. Expressions (IV.3a) and (IV.3b) are valid for larger and suciently large . At surface ( = 0) we have the singularity () = . The realistic potential is nite, but the explicit expression for that potential is not known. There is a variety of the model potentials that are continuous and nite at surface. However, in all our further considerations the explicit form of the near surface potential is unimportant. Let us note that the used electrostatic expressions for the potentials are valid in the adiabatic approximation, for the low ionic velocities. The quantity ( ) = / represents the potential energy of the electron (charge = 1 a.u.) in the eld of the polarized solid (due to the point charge = at distance from the surface). Taking into account the relation ( ) = = , for the potential of the polarized solid surface (due to the charge at distance from the surface) in the point with position outside the solid, we have . ( , ) = 2 2 ( + ) +
2. Atomic potentials

(IV.4)

It remains to dene the potential energy for the interaction of the active electron with the ionic core of the charge = = a.u. In the case of pointlike ionic core, the is simply the potential energy of the Coulomb interaction of the electron with the charge : = ( ). (IV.5)

When the internal electronic structure of the ionic core is taken into account, the point-like core approximation become inadequate. The interaction of the active electron with the core 36

Figure IV.A.2: Interaction potential along the axis

become more complicated; moreover, it depends on the the quantum state of the active electron. When the active electron is highly excited into the so called Rydberg state, the electron motion is suciently far from the electrons already bounded to the nucleus. The ionic core due to the internal structure of the core and the state of the active electron. The polarization of the ionic core can be taken into account via the appropriate eective potential. For 1, where is the electron position in respect to the ionic core, the suciently accurate expression for the is the Simons-Bloch potencial [18]
= (2)

, + 2 =0

(IV.6)

= is the projection operator onto the subspace of a given angular momentum where . The quantum defects in the energy spectrum of the considered ion are included into the
eective potential via the constants .

3.

Total potential

Within the ion-surface system the active electron has the potential energy (potential) = + + . Inside the solid, within the framework of the Sommerfeld model, the se potential = 0 37

depends only on the coordinate ; outside the solid the quantity = ( , ) depends on all spatial coordinates and the ion-surface distance . In the near surface region The potential can be modeled by some suciently smooth and continuous function. In Fig. IV.A.2 we present the potential along the axis. By we denoted the solid work function. The
2 quantity = /2 is the Fermi energy, which represents the maximal electron kinetic

energy inside the solid, for the absolutelly cold conduction solid. The kinetic energy of the conduction electron is denoted by 2 /2, where the is the momentum (velocity) of the conduction electron; the is the momentum (velocity) of the electron from the Fermi level. In the quantum description of the electron state in the conduction solid surface, the vector represents the momentum eigenvalue (the wave vector), while the intensity is the so called wave number. Outside the solid, the function along the axis has the form of the potential barrier, with singularity at = . Classically, the kinetic energy = , where is the total electron energy, must be positive, so that the classically allowed electron transitions are of the over-the-barrier type. However, according to quantum mechanics, the tunneling of the electron through the barrier is allowed, and represents the most probable charge exchange mechanism in the ion-surface system.

IV.B.

Dielectric Response Theory

[29]: J. Burgd orfer, in Review of Fundamental Processes and Applications of Atoms and Molecules

1.

The charge and the induced charge density

In the electrostatic approximation the conduction electrons of the solid instantaneously follow the time dependence of the external eld (the eld of the ionic system in the interaction with solid surface). This kind of the surface response is characteristic for the asymptotically large ion-surface distances . At smaller distances from the surface, the nonadiabatic correction of the collective response of the conduction electrons must be considered. A conventional starting point is linear response theory, or more specically the dielectric response function.

38

Figure IV.B.1: The charge and the induced charge density

We determine rst the eective dynamical potential ( , ) in the point with position for the system consisting of the point-like charge moving at velocity = + and the continuum of the charges with density induced in the solid (semi-innite jellium) as a collective response, see Fig. IV.B.1. In what follows we use the notation: = ( , ), = ). For a given , i.e., considering the coordinate as parameter, the ( , ), and = (, potential ( , ) = ( , ; ) represents the function of three variables: two coordinates = ( , ) and the time . We express the interaction potential ( , ; ) as an inverse Fourier (, , ) in two spatial directions of the momentum vector = transform of the function ( , ) and the frequency . That is, using the general expression for the Fourier transform ( of an integrable function ( ): ) = (1/(2 )3 ) exp( ) ( )3 , from which we can ( reconstruct the function by the inverse transform ( ) = (1/(2 )3 ) exp( ) )3 , for the vectors = ( , , ) and = ( , , ), we obtain 1 ( , ) = ( , ; ) = (2 )3
) (, , )2 . (

(IV.7)

The solid response is characterized by the dielectric response function which is dened in terms of the ratio ( , ) = 0 ( , ) 0 ( , ) = , ( , ) 0 ( , ) + ( , ) (IV.8)

where 0 ( , ) and ( , ) are the Fourier transforms of the density 0 of the external 39

charge (brought near the solid) and the induced charge density in the medium (solid)), respectively. For simplicity, we will assume that the dielectric response function inside the and . Taking into account that in the vacuum solid ( < 0) depends only on the vector (outside the solid, > 0) we have = 0 so that = 1, we get , ) = (, )( ) + ( ). (, (IV.9)

Let us note that, on the base of Eq. (IV.8), for the density we have the following expression: ( , ) = 0 ( , ) ( ) 1 1 . ( , ) (IV.10)

2.

Poisson equation

The potential satises the Poisson equation for the vacuum, because the charges and are distributed in the vacuum. Expressing the density 0 of the pointlike charge ()), in the system of units in which in terms of a Dirac delta function: 0 ( , ) = ( 1/40 = 1, the Poisson equation reads ()) 4 ( ), 2 ( , ) = 4 ( (IV.11)

= where . The potential must satisfy the boundary conditions for the interface = 0: ( = 0 ) = ( = 0+ ), and ( (IV.12a)

) ( ) = . (IV.12b) =0 =0+ In order to transform Eq. (IV.11), we express the induced density ( , ) = ( , , ) ): via the Fourier transform (, 1 ) )2 . ( (, (IV.13) ( , ) = ( , , ) = 3 (2 )

For the Dirac function guring in Eq. (IV.11) we use the integral representation 1 ) 3 (IV.14a) ( ; ( ()) = ( ) = 3 (2 ) taking that = ( , , / ), where = , whereas (/ ) = (/ ), we have 1 ()) = ( ( ) = (2 )3
) (
2

(/ ).

(IV.14b)

40

Inserting Eqs. (IV.13) and (IV.14b) into Poisson-ovu equation (IV.11), we get ) 2 ( (, , )2 = 4 i.e., 2 )( ) ( ). (, (, , ) = 4 4

( ) 2

) )2 ( ), ( (,

(IV.15)

(IV.16)

2 Taking into account that = ( 2 /2 + 2 / 2 + 2 / 2 ) = + 2 / 2 , we obtain the following dierential equation for the Fourier transform 2

of the potential : + 2 / 2 = ( ). 2 0 of the homogenous part of Eq. (IV.17) (for ( ) = 0) is The solution 0 = 1 + 2 , (IV.18) (IV.17)

) are the arbitrary functions of the variables and . The particular where = (, of equation (IV.17) are dierent for > 0 and < 0. In the region > 0 we solution have the equation: + 2 / 2 = 4 2
.

(IV.19)

= exp , where = / For the particular solution of the form , we get = 4 . 2 + (/ )2

(IV.20)

of the potential will be obtained in the The same solution for the Fourier transform case = 0, i.e., for the system consisting only of the point charge ; thus = (, , ), (IV.21)

(, , ) is the Fourier transform of the Coulomb-potential ( where , ) = / . The general solution of the Poisson equation (IV.17) for > 0 is = + = > (, ) + > (, ) + (, , ). 1 2 (IV.22)

41

 satises the following Poisson In the solid region ( < 0), the particular solution equation: + 2 / 2 = 4 2
). 4 (,

(IV.23)

Using the relation (IV.10): = 0 (1/ 1), where 0 ( , ) represents the Fourier trans ), and taking into account the integral form of the external charge density 0 = ( ), we get representation (IV.14b) of the function ( ) = 0 (,
.

(IV.24)

Inserting the former expression in Eq. (IV.23), we have + 2 / 2 = 4 2 0 , (IV.25)

i.e., we obtain the equation which dierers from the corresponding equation (IV.19) (valid in the region > 0) only by the factor 1/. Therefore, in the region < 0 we have = (, , ) 1 . The general solution for < 0 is given by = < (, ) + < (, ) + (, , )/(, ). 1 2 (IV.27) (IV.26)

From Eqs. (IV.22) and (IV.27), for the general solution of the Poisson equation (in the momentum-time domain) we have [ ] = < (, ) + < (, ) + (, , )/(, ) ( ) 1 2 [ ] > > (, , ) ( ). + 1 (, ) + 2 (, ) + (IV.28)

0 must be satises, we Considering the cases when the boundary condition

< < > > get 1 = 1 , 2 = 0, 1 = 0 and 2 = 2 , so that

[ ] = 1 (, )( ) + 2 (, )( ) + (, , )

] ( ) + ( ) . (IV.29) ) (,

Taking into account the continuity condition given by Eq. (IV.12a), we get ) + (, , 0)/(, ) = 2 (, ) + (, , 0). 1 (, (IV.30)

42

The second condition expressed by Eq. (IV.12b) leads to the relation ( ) ( ) = 2 + / 1 + /

=0

=0+

(IV.31)

where,

on

4 (/ )

(, , ) (IV.20) and (IV.21), = / = ( /( 2 + (/ )2 ), so that ) . Therefore, the condition the base of Egs.

(IV.12b) gives the relation: 1 = 2 . Inserting the last relation into Eq. (IV.30) we (, , 0) obtain the following values for the quantities 1 and 2 : 1 = [( 1)/(1+ )] (, , 0). and 2 = [( 1)/(1 + )]

3.

Dynamic generalization of the image potentials

Dynamic generalization , of the image potential (expressed by Eq. (IV.4)) of the collective response of the solid surface to the moving charge , i.e., the potential of the polarized solid in the point at position , can be obtained from the obtained expression for the potential . The potential potential is given by , ( , ) = ( , ) , () (IV.32)

() of the charged where we have subtracted the bare Coulomb potential = / particle in absence of the surface from the potential . The same relation holds for the Fourier transforms of the potentials , , ( , ), and : , (, , ) = (, , ) (, , ). into Eq. (IV.33), we get Inserting the expression (IV.29) for the [ ] , (, , ) = 1 (, )( ) + 2 (, )( ) ] ( ) (, , ) + + ( ) 1 . (, )

(IV.33)

(IV.34)

(, , ) = 4 (/ ) /( 2 + (/ As ( ) 1 = ( ) and )2 ), using the obtained values for the 1 and 2 , we have [ ) ( ) ] ( 4 1 1 1 , (, , ) = 2 2 ( ) ( ) + 1 ( ) . + 2 + 1 (IV.35) 43

 , by the inverse Fourier transform The potential , can be reconstructed from (IV.7): ) ( ( , ) = 2 2 2 2 + 2 [ ( ) ( ) ] 1 1 1 ( ) ( ) + 1 ( ) 2 , +1
,

(IV.36)

In the point outside the solid ( > 0) we have

,

( , ) = 2 2

) 1 2 ( . 2 2 + 2 1 +

(IV.37)

4.

Dynamic generalization of the image potential in the surface plasmon pole approximation

To obtain the nal expression for image potential , ( , ) appropriate choice for the ) which depends only on the components of the mosurface dielectric function (, mentum must be made. An instructive example is the surface - plasmon pole approximation including dispersion (Ref. [23] in Ref. [29] ): ) = 1 (,
2 . ( + )2 2 4 /4

(IV.38)

In Eq. (??) we have 0+ , so that the complex character of the quantity disappears. The parameter is given by = 3/16 , (IV.39a)

where is the Fermi velocity and is the plasmon frequency. We note that for the surface plasmons we have = / (2). The parameter can be given by the empirical formula as a function of the electron gas parameter by the following relation
1.85 ( ) = 0.0026 + 7.6798/

(IV.39b)

where [2 5] is expressed in atomic units.

44

V.

QUANTUM TELEOLOGY OF THE ION-SURFACE SYSTEM V.A. 1. Geometrija problema

normal emergency geometry

U ovoj glavi osnovne postavke kvantne teleologije bi ce testirane na konkretnom zi ckom sistemu. Bi ce razmatran sistem jon - povr sina provodnog tela (metal), pri cemu se pretpostavlja da jon napu sta povr sinu u normalnom pravcu brzinom . Kao kvantni dogadjaj bi ce razmatrana elektronska razmena u ovakvom sistemu; konkretno, prou cava se zahvat elektrona u Rydberg-ovo stanje vi sestruko naelektrisanog jona (naelektrisanja jonskog ostatka 1). Za brzine jonskih projektila bi ce pretpostavljeno da pripadaju intermedijalnom opsegu brzina ( 1 a.j.).

Slika IV.A.1: Elektronska razmena u sistemu jon-povr sina

Osnovno pitanje koje se postavlja je slede ce: ako je inicijalno elektron bio u metalu i ako je poznato da ce nalno biti u datom Rydberg-ovom stanju jona, sta se de sava u intermedijalnim etapama elektronske razmene. Odgovor na ovo teleolo sko pitanje mo ze se dobiti na osnovu verovatno ce prostorne lokalizovanosti elektrona u oblasti jona u trenutku [ , ]. Oblast () (jonska oblast) postavljena je desno od pokretne Firsovljeve ravni , uvedene u sistem da razdvoji metal i jon kao podsisteme, vidi sliku IV.A.1. Trenutno rastojanje jona od povr sine bi ce ozna ceno sa , a rastojanje Firsovljeve ravni od jona sa , u skladu sa op stim oznakama sa slike III.A.2. Kretanje jona bi ce tretirano klasi cno, po zakonu = /, dok se elektron tretira kvantno-teleolo ski. 45

Primetimo da denisana geometrija odgovara snop-meta eksperimentalnim uslovima, pri razmatranju kvantnih procesa na izlaznom delu trajektorije [3032]. Ovakva geometrija mo ze da odgovara i eksperimentalnim uslovima pri rasejanju jona od povr sine [33], kada pod brzinom treba podrazumevati komponentu brzine normalnu na povr sinu. Ista geometrija mo ze da odgovara i eksperimenalnoj postavci sa mikrokapilarnom folijom [34], pri razmatranju zahvata elektrona u neko od stanja jona pri njihovom izlasku iz folije. Sva tri tipa eksperimenata su realizovana, s tim sto se na intermedijalne faze odnose samo eksperimenti rasejanja (pod malim uglom) i to sa rezultatima koji nisu dovoljno selektivni sa kvantno-mehani ckog stanovi sta.

2.

scattering geometry Preselekcija, postselekcija i Hamiltonijani

V.B.

Slika IV.A.2: Prikaz teleolo skih uslova neutralizacije vi sestruko naelektrisanog jona pri interakciji sa povr sinom metala

Elektronski zahvat iz provodne zone metala u polje jona dovodi do delimi cne neutralizacije jonskog projektila. Ovakav proces je u domenu razmatranih intermedijalnih jonskih brzina nerezonantan, tj. treba uzeti u obzir doprinos svih stanja provodne zone cvrstog tela. U okviru teleolo ske formulacije problema, smatra se da je aktivni elektron sistema jonpovr sina kako preselektovan u trenutku vremena = , tako i postselektovan u trenutku = . Preselekcija odgovara paraboli ckom stanju , gde je = ( , 1 , ) skup odgovaraju cih paraboli ckih kvantnih brojeva. Postselekcija dovodi do sfernog atomskog 46

stanja , gde je = ( , , ) skup odgovaraju cih sfernih kvantnih brojeva. Drugim re cima, razmatra se situacija u kojoj su u po cetnom trenutku vremena = svi elektroni posmatranog jona vezani za jezgro, cime se zajedno formira jonski ostatak naelektrisanja . Aktivan elektron je u po cetnom trenutku u stanju koje je uglavnom lokalizovano unutar metala. U nalnom trenutku vremena = aktivan elektron se nalazi u vezanom Rydberg-ovom stanju jona, vidi sliku IV.A.2. U trenutku vremena ( , ) stanje aktivnog elektrona je opisano sa dva vektora stanja: 1 ( , ) 1 () = 2 ( , ) , 2 () = (V.1a) (V.1b)

(1 , 2 ), = 1, 2, evolucioni operator u -tom scenariju. Evolucioni operatori 1 ( , ) gde je 2 ( , ) odredjeni su in- i out Hamiltonijanima 1 i 2 . Hamiltonijan 1 ulaznog i kanala treba da opi se situaciju u kojoj elektron mo ze innitno da se kre ce u okviru metala, 2 izlaznog kanala opisuje situaciju u kojoj je elektron uglavnom vezan dok Hamiltonijan za jonski ostatak, tj. odgovara konguraciji vezanog stanja. Odgovaraju ci Hamiltonijani detaljno su diskutovani u radovima Nedeljkovi c, Nedeljkovi c et. al. Izvan cvrstog tela, u atomskom sistemu jedinica, () = + () + () , 2
() 2

(V.2a)

= 1, 2, gde je efektivna potencijalna energija aktivnog elektrona u polju jonskog ostatka; povr sinski potencijal
()

1 + 4 +

(V.2b)

predstavlja potencijalnu energiju elektrona u polju polarizovanog cvrstog tela (efekat indukcije). Napominjemo da predlo zena forma povr sinskog potencijala predstavlja klasi cnu elektrostati cku aproksimaciju, tj. nelinearni efekti polarizacije, kao i dinami cki odziv povr sine su zanemareni. Takodje, predlo zeni oblik potencijala
()

odgovara elektronskom zahvatu

u Rydberg-ova stanja malog momenta impulsa , kada je proces uglavnom lokalizovan u uskoj cilindri cnoj oblasti oko ose. U oblasti unutar cvrstog tela ( < 0), in- Hamiltonijan se izra zava u slede coj formi: 1 = 0 , 2 47
2

(V.3)

gde je 0 dubina potencijalne jame u okviru Sommerfeld-ovog modela cvrstog tela, vidi sliku IV.A.2. U oblasti bliskoj povr sini, koja je bitna u okviru prvog scenarija ( = 1), pretpostavlja se da su potencijali izvan i unutar cvrstog tela glatko spojeni, ali njihov eksplicitni oblik u ovoj oblasti nije neophodan za dalja izra cunavanja. Drugim re cima, neodredjenost povr sinskog potencijala
(1)

pojavljuje se samo u nebitnom faznom faktoru funkcije 1 ( , ) [20]. U

okviru drugog scenarija potrebno je poznavati samo elektronsko stanje u jonskoj oblasti, tako da se problem potencijala u oblasti bliskoj povr sini ne pojavljuje. Interakcija aktivnog elektrona sa jonskim ostatkom u prvom scenariju izra zava se Coulomb-skim potencijalom: = / , gde je vektor polo zaja aktivnog elektrona u odnosu na jonski projektil. U drugom scenariju ( = 2), medjutim, aktivni elektron kre ce se bli ze elektronskom oblaku elektrona vezanih za jezgro. Da bi se ura cunao efekat polarizacije jonskog kora, tj. cinjenica da se zbog prisustva elektrona vezanih za jezgro jonski ostatak ne mo ze smatrati ta ckastim, za potencijalnu energiju aktivnog elektrona koristi se Simons - Bloch-ov potencijal [35]:
(2) (2) ()

, = + 2 =0

(V.4)

= predstavlja projektor na podprostor datog momenta impulsa . Efektivni gde potencijal ura cunava eksperimentalno uo cene kvantne defekte u energijskom spektru 2 = 2 = 2 /2 + (2) preko modelnih konstanti . /2 atomskog Hamiltonijana 2 mo ze biti egzaKoriste ci Simons-Bloch-ov potencijal, svojstveni problem Hamiltonijana ktno re sen.
(2)

V.C. 1.

Teleolo ski opis neutralizacije

Teleolo ski opis neutralizacije for the nomal emergency geometry

U okviru kvantne teleologije, u literaturi takodje poznate kao two-state vector model (TVM) [2022], elektronski zahvat se opisuje teleolo skom verovatno com i ratom, koje su zasnovane na pojmu me sanog uksa. U odnosu na op stu teoriju kvantne teleologije posve cenu merenjima prostorne lokalizacije kvantnog objekta, prikazane u prethodnoj glavi, pri razmatranju neutralizacije vi sestruko naelektrisanog jona pri njegovoj interakciji sa povr sinom cvrstog tela, potrebno je uzeti u obzir da u principu svi provodni elektroni cvrstog tela mogu 48

 1 je u problemu neutralizacije da u cestvuju u procesu. Takodje, spektar Hamiltonijana kontinualan, i karakteri se se energijskim parametrom iz skupa . Iz navedenih razloga, pri opisu neutralizacije, na osnovu op ste formule (III.41a) prvo se deni se verovatno ca prelaza po jedinici : , () = , ()2 , (V.5a)

gde je , () teleolo ska amplituda (two-state probability amplitude) denisana op stim izrazom (III.36a): ()1 (). , () = 2 () (V.5b)

() u problemu neutralizacije predstavlja projektor na jonsku oblast, desno od Veli cina Firsovljeve ravni na slikama IV.A.1 i IV.A.2. Kao sto je pokazano u okviru op stih razmatranja u prethodnoj glavi, sve teleolo ske veli cine izra zavaju se preko me sanog uksa , () kroz ravan . Na osnovu jedna cine (III.41a) imamo: , () =
2

, () ,

(V.6a)

gde je me sani uks denisan jedna cinom (III.33): ( ) ] [ 1 2 (V.6b) , () = 2 1 , )1 ( , ) . 2 ( 2 1 2 Me sani uks zavisi od kinematike Firsovljeve ravni . Polo zaj ove ravni u odnosu na jon odredjen je rastojanjem , a u odnosu na povr sinu metala koordinatom = . U daljem razmatranju koristi cemo i oznaku = da bismo ukazali na cinjenicu da se koordinata menja u toku vremena i to u prvoj aproksimaciji srazmerno sa . Veli cina odredjena je odgovaraju cim varijacionim uslovom, cime se iz teorije uklanja neodredjenost zbog denisanja merenja pomo cu ktivne Firsovljeve ravni. Uzimaju ci u obzir vi se-elektronski karakter procesa, intermedijalna neutralizaciona verovatno ca () deni se se kao integral po energijskom parametru i suma po prvom paraboli ckom kvantnom broju 1 i kvantnom broju veli cine , (): () = , () .
1 ,

(V.7)

Integracija po je u intervalu [ 2, 20 ], gde je sa ozna cen izlazni rad metala, vidi sliku IV.A.2. 49

Na osnovu poslednje veli cine deni se se neutralizaciona rata: () = (). (V.8a)

Ovako denisana rata predstavlja sumu po inicijalnim stanjima teleolo ske rate , = , /, koja je u op stoj teoriji denisana formulama (III.41b,c): () = , .
1 ,

(V.8b)

Na osnovu formule (III.41c) vidimo da je neutralizaciona rata takodje izra zena preko
me sanog uksa. Na osnovu veli cine () deni se se neutralizaciono rastojanje , kao

ono rastojanje jona od povr sine na kome je neutralizaciona rata maksimalna: () = 0.

=

(V.9)

Neutralizaciona rastojanja predstavljaju glavnu informaciju o medjuetapama neutralizacije; mo ze se smatrati da se proces elektronskog zahvata uglavnom de sava kada je jon na rasto janju od povr sine.

2.

Teleolo ski opis neutralizacije for the scattering geometry Me sani uks elektronskog zahvata

V.D. 1.

Talasne funkcije aktivnog elektrona

S obzirom da je proces neutralizacije uglavnom lokalizovan na velikom rastojanju 1 jona od povr sine, kao i da je Firsovljeva ravan postavljena dovoljno daleko kako od jona, tako i od povr sine, izra cunavanje me sanog uksa , () mogu ce je u okviru asimptotske metodologije. Na ovaj na cin, dolazi se do veli cine , () izra zene u analiti ckom obliku. U blizini Firsovljeve ravni, talasne funkcije 1 ( , ) i 2 ( , ) mogu da se izraze kao 1 i prostorno-vremenski modikovane svojstvene funkcije , i , Hamiltonijana

2 , respektivno:
2 /2), 1 ( , ) = , exp( + 2 2 ( , ) = , exp( + /2 + 2 /2).

(V.10a) (V.10b)

50

Funkcije i se dobijaju kao re senja vremenski zavisnih Schr odinger-ovih jedna cina , = 1, 2, denisanim jedna (III.19a,b) sa Hamiltonijanima cinom (IV.2a). Primetimo da 1 opisuje paraboli in-Hamiltonijan cki simetri can sistem; energijski spektar Hamiltonijana 1 je kontinualan sa svojstvenim energijama = 2 /2. S druge strane, Hamiltonijan 2 opisuje sferno-simetri 2 ima diskretan spektar = can sistem jon-povr sina; operator
2 /2.

1 mo Svojstveni problem Hamiltonijana ze se re siti metodom separacije promenljivih u paraboli ckim koordinatama. Ova separacija je mogu ca u uskoj cilindri cnoj oblasti oko ose, kroz koju se kori s cenjem JWKB metoda [36] svojstvene funkcije mogu produ ziti iz oblasti metala u oblast ravni. Odgovaraju ci izraz za funkciju , je ve c poznat, vidi, na primer, jedna cinu (3.4) u Ref. [20]. 2 jona polarizovanog ostatka (sa svojstvenim energiSvojstveni problem Hamiltonijana = , ) mo jama 2 /2, gde je = / , i svojstvenim funkcijama ze biti re sen

, numerisana je sa egzaktno [20]; funkcija i = + . Re senja prethodnog svojstvenog problema mogu biti iskori s cena da bi se re sio svojstveni problem Hamiltonijana (2) 2 razlikuje za 2 + (2) , koji se od atomskog Hamiltonijana 2 = clan koji opisuje

efekat polarizacije metala (efekat elektrostati cke indukcije zbog prisustva elektrona i jona ispred povr sine metala). U prvoj aproksimaciji, za () =
(2)

(2 1)/(4), imamo: (V.11)

2 2 2 1 = + ; 2 2 4

, . Polarizacija u istoj aproksimaciji imamo , = cvrstog tela u drugom scenariju mo ze biti uzeta u obzir ta cnije ako iskoristimo relaciju , . , = (V.12)

Faktor ( ) (2 1)/4 dobijen je, zajedno sa faktorima i na na cin opisan u Appendix-u Ref. [15]. Eksplicitni oblici faktora i dati su jedna cinama (3.13) i (3.14) u Ref. [20], respektivno. Funkcije 1 (, ) i 2 (, ) su sematski prikazane na slici IV.B.1. Funkcija 1 u oblasti cvrstog tela ( < 0) predstavlja zbir upadnog i reektovanog talasa. Ova funkcija eksponencijalno opada od povr sine prema jonu, u oblasti jona blago zaosciluje i zatim te zi nuli u beskona cnosti. Funkcija 2 ima izrazitu lokalizovanost u oblasti oko jonskog ostatka; ona eksponencijalno opada od jona ka povr sini, a u oblasti cvrstog tela se anulira. Obe funkcije se deformi su u toku vremena. 51

 Slika IV.B.1: Sematski prikaz pona sanja talasnih funkcija 1 i 2 du z ose

Talasne funkcije 1 ( , ) i 2 ( , ) kompletiraju opis elektronskog stanja pojedina cnog elektrona teleolo skog ansambla u trenutku vremena [ , ]. Uka zimo da pri dovoljno velikom , sa ta cno s cu (1/2 ), vrednost energijskog parametra ostaje unutar inicijalno popunjene provodne zone metala, a da parametar raste sa porastom -a prema vrednosti , = u skladu sa jedna cinom (V.11).

2.

Izra cunavanje me sanog uksa

Kao sto je vi se puta napomenuto, osnovna veli cina teleolo skog modela formulisanog u ovom radu je me sani uks , () kroz Firsovljevu ravan , koji je u slu caju sistema jon-povr sina dat jedna cinom (V.6b). Odgovaraju ci asimptotski izraz za me sani uks, koji je dovoljno ta can kako za intermedijalne etape procesa tako i pri , eksplicitno je dat u radu [22]. Izra cunavanje me sanog uksa u pomenutom radu zasnovano je na nekim speci cnostima teleolo skog modela u konkretnom slu caju neutralizacije u prisustvu povr sine metala. Prvo, na osnovu pona sanja odgovaraju ce gustine dvostruje, zaklju ceno je da je za elektronske prelaze najbitnija centralna oblast Firsovljeve ravni . Drugo, uo ceno je da glavni doprinos 52

popunjavanju nalnog stanja jona malog momenta impulsa daju elektroni metala sa 1 0, i = = 0. Uz ove okolnosti, pri 1, u centralnoj oblasti 1 i 1
Firsovljeve ravni, va ze slede ci pribli zni izrazi: 1 /1 i . 2 /2

Zamenom ovih vrednosti u jedna cinu (V.6b) dobija se [22]: [ ( )] , () = exp () + + 1 2 exp ( + ) , , , 2 (V.13a) gde je ) 2 1( 2 2 (1 2 ) . (V.13b) 2 2 Pri daljem izra cunavanju me sanog uksa iskori s ceni su adekvatni asimptotski oblici svo= jstvenih funkcija , i , , koji dovoljno ta cno reprezentuju ove funkcije na Firsovljevoj ravni. Odgovaraju ci me sani uks izra zen je u slede cem obliku: ( ) 2 1 (0) , () = , () , () exp , 4
(0)

(V.14)

, dok je veli cina gde je veli cina , () data formulom (3.19) u Ref. [20] pri , () data fomulom (13) u Ref.[22]: 1 (2 + 2) e( 1) , + + 1 ( ) , () = 1 2 ( + + 1) + + 1 ( ) 1 +1 ( ) (2) e 1+ ,
1

(V.15)

gde je , , (4 ), pri cemu je veli cina , () denisana jedna cinom (3.9b) u Ref. [15]. Primetimo da izraz za me sani uks zavisi od inicijalnog i nalnog stanja preko kvantnih brojeva i , ali i od kinematike Firsovljeve ravni. Izra zavaju ci me sani uks u obliku , () = , () exp[( + )], i uzimaju ci u obzir jedna cinu (V.6a), veli cina
= , ( ) mo ze da se shvati kao Laplace-ov transform konvolucije funkcija , , () i () u odnosu na varijablu ( + ) . Prema tome, na osnovu vari , jacionog uslova / = 0 dobijamo Euler - Lagrange-ovu jedna cinu za konvoluciju , , , na osnovu koje nalazimo zavisnost parametra = od , gde je dato ,

jedna cinom (4.20)u Ref. [15], za = i 0 = . Analiti cki izraz (V.14), ciji je eksplicitni oblik dat u DODATKU 2, omogu cava nam da analiziramo me sani uks kao osnovnu veli cinu koja karakteri se intermedijalne etape elektronske razmene izmedju jona i povr sine metala pod teleolo skim uslovima. 53

3.

Fazni portret me sanog uksa

Medju mnogobrojnim mogu cim rezultatima koji se odnose na ulogu me sanog uksa u elektronskoj razmeni izmedju odlaze ceg jona i provodne povr sine pod teleolo skim uslovima, ovde ce biti prikazan tzv. fazni portret. Naime, kako je me sani uks kompleksna veli cina, interesantno je razmatrati njegov realni deo Re , () i imaginarni deo Im , () kao dve mode koje karakteri su posmatrani zi cki sistem.

caju elektronskog zahvata iz Slika IV.B.2: Fazni portret me sanog uksa , () u slu stanja = ( = , 1 = 0, = 0) (preselekcija) u Rydberg-ovo stanje = ( = 8, = 0, 1, 2, = 0) (postselekcija) jona ArVIII ( = 8) koji napu sta povr sinu cvrstog tela ( = 3 eV, 0 = 10 eV,) brzinom = 1 a.j. u normalnom pravcu

Na slici IV.B.2 prikazana je zavisnost Im , () od Re , (), pri cemu je vreme tretirano kao parametar. Na taj na cin dobijena je trajektorija u posmatranoj ravni. Kao primer, razmatrana je populacija Rydberg-ovog stanja = 8, = 0, 1, 2 i = 0 jona ArVIII koji brzinom = 1 a.j. napu sta povr sinu cvrstog tela. Kao karakteristi can primer provodne povr sine uzeta je povr sina izlaznog rada = 3 eV i dubine provodne zone 0 = 10 eV, sto bi odgovaralo ugljeni cnoj povr sini ciji je izlazni rad smanjen zbog ne cisto ca. Ovakav slu caj imamo u snop-meta eksperimentima [3032, 37]. 54

Tabela 1: Neutralizaciona rastojanja, za polarizovan i ta ckast jonski ostatak, pri zahvatu u Rydberg-ovo stanje = ( = 8, = 0, 1, 2, = 0) jona ArVIII koji brzinom = 1 a.j. napu sta povr sinu metala
(..)

= 0 8.087 9.48

= 1 8.508 9.48

= 2 9.204 9.48

.. ..

Karakteristika teleolo skih sistema je da kvantni dogadjaji u intermedijalnim etapama vremenske evolucije zavise kako od inicijalnih, tako i od nalnih stanja. U posmatranom slu caju navedeni kvantni brojevi = ( , , ) deni su nalno stanje. Inicijalno stanje kome odgovara fazni portret prikazan na slici IV.B.2 zadato je pomo cu parametara , 1 = 0 i = 0. Za energijski parametar uzeta je vrednost = koja odgovara maksimalnoj vrednosti veli cine , (), pri , vidi sliku IV.A.2. Pune linije na slici IV.B.2 odgovaraju jonskom ostatku koji je polarizovan, dok isprekidana linija odgovara ta ckastom jonskom ostatku. Fazna trajektorija po cinje u nuli i tu se i zavr sava, sto je takodje karakteristi cno za teleolo ske sisteme, kod kojih se me sani uks razlikuje od nule samo na intermedijalnim etapama. Pri porastu kvantnog broja momenta impulsa trajektorije postaju sve bli ze trajektorijama dobijenim u aproksimaciji ta ckastog jonskog ostatka (isprekidane linije na slici IV.A.2). Fizi cke informacije koje se mogu dobiti iz analize faznog portreta odnose se pre svega na lokalizaciju elektronskog prelaza. U okviru kvantne teleologije, proces neutralizacije opisuje se odgovaraju com ratom (koja se takodje ra cuna pomo cu me sanog uksa). Na osnovu izraza
(IV.9) maksimum ove veli cine deni se neutralizaciono rastojanje na kome se proces

dominantno odvija. Ova rastojanja su za teleolo ski sistem razmatran na slici IV.B.2 data u Tabeli 1. Primetimo da su neutralizaciona rastojanja pri vrlo malim jonskim brzinama, kada je proces rezonantan (izoenergijski) ne sto ve ca; u slu caju polarizovanog jonskog ostatka jona ArVIII ona su: 13.3, 13.9 i 15.0 (u atomskim jedinicama) za = 0, 1 i 2, respektivno [21]. Na slici IV.B.2 odgovaraju ce vrednosti me sanog uksa ozna cene su ta ckama. Uo cava se izrazita pravilnost u rasporedu ovih ta caka u odnosu na oblike faznih trajektorija. Ovo ukazuje na mogu cnost da se neutralizaciona rastojanja odrede direktno, na osnovu pona sanja 55

me sanog uksa, bez izra cunavanja neutralizacionih rata. Potpunije tuma cenje dobijenih rezultata predstavlja otvoren problem. Pretpostavlja se da u okviru kvantne teleologije mode Re , () i Im , () formiraju sistem koji se mo ze posmatrati kao sinergetski problem. U ovakvom pristupu problemu, neutralizaciona rastojanja mogla bi se povezati sa stabilnim ta ckama sinergetskog sistema. U tom smislu, teleologija bi bila povezana sa samoorganizacijom.

56

VI.

EXAMPLES OFTHE QUANTUM TELEOLOGY OF THE ION SURAFACE

INTERACTION VI.A. EXAMPLE 1: Neutralization in Quantum teleology of the ion suraface

interaction: SPIG2006 1. Quantum teleological model for neutraliation

In the last two decades several theoretical methods were developed, which can be principally used for an investigation of the neutralization of one-electron multiply charged Rydberg ions. The proposed methods are very heterogenous in nature; here we mention the classical over-barrier (COB) method [1, 2], and its extended dynamic version [38, 39], perturbation method [40], coupled angular mode (CAM) method [3, 41], complex scaling method (CSM) [4, 4244], stabilization method [45, 46], time dependent close-coupling technique [19, 47], and quantum teleological model (QTM) [5, 13] in combination with the etalon equation method (EEM) [15, 48, 49]. In the present paper we apply the QTM to obtain the total neutralization rates of multiply charged Rydberg ions. Within the framework of the teleological model the state of a single electron is described by two state vectors 1 () and 2 (). The rst state evolves (in the rst scenario) from the initial state 1 ( ) = towards the future: 1 ( , ) 1 ( ). 1 () = (VI.1)

The second state 2 () evolves teleologically (in the second scenario) towards the xed nal state 2 ( ) = postselected in the nal time = , according to the law 2 ( , ) 2 ( ). 2 () = (VI.2)

QTM represents a time symmetrized description of the intermediate stages of the process. Namely, the results of any measurements performed in the time ( , ) depend on both the initial and nal quantum conditions [50].

2.

Neutralization in the QTM

We consider the neutralization of multiply charged Rydberg ions escaping the solid surface with velocity = /, where is the instant ion-surface distance. We assume that the 57

FIG. 1: Quantum teleology of neutralization, schematically

teleological conditions are satised, i.e., the system is preselected in the parabolic state , where = ( , 1 , ) and postselected in the spherical state , where = ( , , ), and calculate the intermediate probabilities and rates, for the neutralization process, see Fig. 1. In order to control intermediate stages of the neutralization, we dene the teleological transition amplitude 2 ()1 (), , () = 2 () 2 () = where
2

(VI.3)

is the projecting operator onto the ionic region 2 . Intermedi-

ate neutralization probability is dened as an integral over the solid conduction band energy parameter of the quantity , () = , ()2 : , () = , () .

(VI.4)

Probability , can be expressed via mixed ux , () through the surface 2 () containing the ion, which in parts consists of the Firsov plane positioned between the ion 2 and the surface, i.e., we get , () = , () , where ( ) , () = 12 12 , (VI.5)
2 ()

. We see that the mixed ux is dewhereas is the velocity of the surface element , ) and the two-current density termined by the two-amplitude 12 ( , ) = 1 ( , ) 2 (
12 = ( 2 1 1 2 ) /(2). Moreover, the neutralization dynamics is completely de-

termined by the behaviors of these quantities exclusively on the Firsov plane , i.e., in the region of the negligible ion-surface interaction. The neutralization of multiply charged Rydberg ions occurs at large ion-surface distances . Therefore it is possible to apply appropriate asymptotic methods. In the present paper 58

 , ()/, of the C3+ ion ( = 3) in the Rydberg states FIG. 2: Normalized neutralization rates = 3, 4 escaping the Al-surface with velocity = 0.1 a.u. We consider the case = = 0, 1 = 0 and = 0, 1.

we use the JWKB method to obtain the wave function 1 ( , ) analytically continued from the solid region to the vicinity of the Firsov plane. The function 2 ( , ) on the plane represents the second component of the twostate, for the active electron in the eld of screened Coulomb potential and polarized solid.

3.

Total neutralization rates

Within the framework of QTM, we get ( , () 1

)

1 + 1 2 4

( +( ) ( ) )

, ,

(VI.6)

where , is the nal neutralization probability, and and are the energy parameters of the rst and second scenarios, respectively. The quantity in Eq. (VI.6) is dened by
2 2 = ( ) /2 2 (1 2 ) /2, where = /, whereas represents the position of

the Firsov plane with respect to the ion. The parameter follows from the variational , ()/ = 0, where , () = , ()/, is the normalized (teleological) requirement
2 2 probability. We get (1 + ( ) / 2 ) /2. For < 1, the last expression can be

applied only in combination with the condition . For the energy parameter we take the experimentally obtained values 0 (from the energy spectra of the considered 59

ion) shifted due to the image forces: approximation we have .

2 0 (2 1)/(2) . By we denoted

the energy parameter for which the probability , is maximal. In the quasi-resonant The total neutralization rate is dened as a rst derivative with respect to time of the intermediate probability , (), i.e., we have {( )[ ( )] ( )} , () = 2 cos ( ) + sin ( ) , , (VI.7) where () = (/ ) exp ( ( )), whereas = / 1/2 + 1/(4 ) and =
2 + ( ) . By = (2 1)/(2( 0 2)), where is the solid work function, we

denoted the minimal distance from the surface at which the neutralization is energetically possible. , ()/, considering In Fig. 2 we present the normalized total neutralization rates the combination of the rst parabolic quantum number 1 = 0 and the spherical quantum numbers = 0, 1, for the partial neutralization of C3+ -ion at Al-surface. We assume that the quasi-resonant conditions are satised for the ionic velocity = 0.1 a.u., discussed in Fig. 2.
The maxima of the presented rates determine the neutralization distances (ion-surface

distances at which the neutralization is mainly localized). With increasing of we obtain

the expected increasing of values (scaled as 2 / ). The values for = 0 are less than the values of for = 1. This behavior is a consequence of the inequality

0 ( = 0) > 0 ( = 1). We point out that the inuence of the rst parabolic quantum number 1 is pronounced only in the case of intermediate velocities ( 1 a.u.), when the quasi-resonant approximation is not valid. In that case, instead of = , we obtain the 1 -dependent value.

VI.B. 1. VII.

ccccSPIG...

ccccSPIG... ZAKLJUCAK

Rezultati izlo zeni u ovom radu sugeri su da se pojam me sanog uksa mo ze smatrati osnovnom zi ckom veli cinom u nekim domenima kvantne teleologije. Ovaj pojam se prirodno 60

 , ()/, of the C3+ ion ( = 3) in the Rydberg states FIG. 3: Normalized neutralization rates = 3, 4 escaping the Al-surface with velocity = 0.1 a.u. We consider the case = = 0, 1 = 0 and = 0, 1.

pojavljuje pri analizi prostorne lokalizacije kvantnih dogadjaja pod teleolo skim uslovima, i karakteristi can je za koordinatnu reprezentaciju kvantne teleologije. U radu je analizirana uloga me sanog uksa u slu caju teleolo skih sistema u kojima inicijalno i nalno stanje imaju izrazit stepen prostorne lokalizacije u razli citim oblastima prostora (podsistemima). Intermedijalne etape evolucije ovakvih teleolo skih sistema karakteri su se verovatno com da kvantna cestica (element ansambla) pripada jednom od podsistema. Verovatno ce ovakvih dogadjaja u direktnoj su vezi sa me sanim uksom dvostruje kroz Firsovljevu ravan koja razgrani cava pomenute prostorne oblasti. Kao speci can problem ovog tipa razmatrana je elektronska razmena u jon - povr sina sistemu. Napomenimo da se verovatno ca merenja na teleolo skim sistemima, izra zena ABLformulom Aharonov-a, Bergman-a i Lebovitz-a [3], bitno razlikuje od von Neumannove formule standardne kvantne mehanike. Pojam me sanog uksa, pomo cu koga se izra zavaju verovatno ce prostorne lokalizacije elementa teleolo skog ansambla zasnovane su na verovatno cama ABL-tipa. Ovakav pristup problemu, ali baziran na radovima Demkov-a i Ostrovsk-og [19], bio je iskori s cen u radovima Nedeljkovi c, Nedeljkovi c et al. [1417, 2022] pri razmatranju elektronske razmene izmedju povr sine cvrstog tela i jonskog projektila. Analiza me sanog uksa 12 = , () na ovakvim teleolo skim sistemima prikazana

61

u ovom radu, ukazuje na mogu cu autonomnost ovog pojma. Naime, ukazano je da se lokalizacija procesa elektronske razmene izmedju jona i povr sine, okarakterisana neutral izacionim rastojanjima , mo ze dobiti direktno na osnovu faznog portreta: zavisnost

Im , () od Re , (), bez ra cunanja verovatno ca i rata. Nekoliko dodatnih komentara mogu biti od interesa pri daljem razmatranju osnovne teme ovog rada. Pre svega, sa stanovi sta razmatranog zi ckog sistema jon-povr sina, pored faznog portreta za jon ArVIII prikazanog kao primer u ovom radu, mogu ce je dobiti citavu seriju ovakvih grafova, za razli cite jone; specijalno je osetljiv parametar oblast jonskih brzina. Primer prikazan u ovom radu odnosi se na intermedijalne brzine [22]. Izraz za me sani uks se donekle pojednostavljuje u oblasti malih brzina [20]. Takodje, nalna stanja (postselekcija) razmatrana u ovom radu odgovaraju Rydberg-ovim stanjima malog momenta impulsa . Razmatranje me sanog uksa u oblasti velikog takodje je od zna caja [17]. Primetimo da je u radu analizirano pona sanje me sanog uksa samo za jedan tip povr sine; ova analiza se lako generalizuje na proizvoljnu povr sinu promenom vrednosti izlaznog rada i dubine potencijalne jame u metalu. Sa fundamentalnog stanovi sta, rezultati ovog rada ukazuju da bi me sani uks mogao da se iskoristi za deniciju onih rastojanja izmedju podsistema datog teleolo skog sistema na kojima se proces razmene kvantne cestice dominantno odvija. Jo s generalnije, pojam me sanog uksa mo ze da se iskoristi za re savanje nekih speci cnih kvantnih problema u okviru teorije rasejanja. Na primer, on mo ze da poslu zi za analizu statistike vremena prvog izlaska kvantne cestice iz date oblasti, pod teleolo skim uslovima. Takodje, postoje nagove staji da bi se zi cke ideje sinergetike mogle na ci u okviru kvantne teleologije, ba s razmatraju ci skalarne veli cine Re12 () i Im12 (), kao mogu ce sinergetske mode.

62

DODATAK: OSNOVNI POJMOVI KVANTNE TELEOLOGIJE

1. Stanje elementa teleolo skog kvantnog ansambla Dvostanje (two-state) {1 (), 2 ()} Dvostanje u koordinatnoj reprezentaciji {1 ( , ), 2 ( , ) } Dvostanje u Aharonov - Reznik-ovoj formulaciji 1 ()2 () 2. Integralni oblik spontane evolucije stanja 1 () i 2 () op sti oblik 1 ( , ) 1 () = 2 ( , ) 2 () = u jon-povr sina sistemu 1 ( , ) 1 () = 2 ( , ) 2 () = 3. Diferencijalni oblik spontane evolucije stanja 1 () i 2 () (Schr odinger-ove jedna cine prvog i drugog scenarija) 1 () 1 ()1 () = 2 () 2 ()2 () =

4. Aharonov - Bergman - Lebowitz- ova formula [3] ( ) , 1 (), 2 () = 2 () 1 ()2 ,

63

5. Diferencijalni oblik jedna cine kontinuiteta u kvantnoj teleologiji 12 ( , ) + div 12 ( , ) + 12 ( , ) = 0 Dvoamplituda (two-amplitude) 12 ( , ) = 1 ( , ) , ) 2 ( gustina dvostruje (two-current density) , )] 12 ( , ) = , )1 ( , ) 1 ( , ) [ ( 2 ( 2 2 6. Integralni oblik jedna cine kontinuiteta u kvantnoj teleologiji [ ] 12 ( , ) = 12 ( , ) 12 ( , ) 12 ( , ) + 0
() () ()

12 ( , ) = 12 () + 12 () + 0
()

me sani uks (mixed ux) [20] [ ] 12 () = 12 ( , ) 12 ( , )

()

me sani uks kroz pokretnu Firsovljevu ravan ( ) ] [ 1 2 2 12 () = 1 1 2 2 1 2 me sani uks u jon-povr sina sistemu 12 () , () 7. Teleolo ska amplituda verovatno ce (two-state probability amplitude) op sti izraz 1 12 = 2 zahvat u zapreminu 1 () = 12 () = 2 ()

1 ( , ) , ) 2 (

64

 u jon-povr sina sistemu ()1 () , () = 2 () izra zena preko dvoamplitude 12 12 () = 12 ( , )

izvod teleolo ske amplitude 12 () =

12 ( , ) = 12 ()

izra zena preko integrala po vremenu me sanog uksa 12 () =

12 ()

8. Teleolo ska verovatno ca op sti izraz ( (); 1 ( , ), 2 ( , )) = 12 ()2 =

2

12 ()

verovatno ca prelaza po jedinici u jon-povr sina sistemima (transition probability density) , () = , ()2 neutralizaciona verovatno ca (neutralization probability) () = , ()
1 ,

ska rata 9. Teleolo op sti izraz 12 () = ( (); 1 ( , ), 2 ( , ))

u jon-povr sina sistemu , () = , () ; () = () () = , ()

1 ,

65

DODATAK: FLUKSA

FORMULE

POTREBNE

ZA

IZRACUNAVANJE

MESANOG

Ulazni parametri

= 8, = 1.. = , 1 = 0, = 0 = 8, = 0, 1, 2, = 0 = , = +

parametri i

= 0 ( .) ( .) 1.069 0.8575 0.8288

= 1 1.046 0.8575 0.8286

= 2 1.012 0.8414 0.8286

Formule

, () =
(0) () , () exp ,

2 1 4

(0) () + ) () = exp () [ + + (1 2 )] exp ( ,

66

 , () =
1 (2 + 2) e( 1) , + + 1 ) ( 1 2 ( + + 1) + 1 + 1 ( ) 1 + 1 ( ) 1+ e (2)

) 2 1( 2 2 (1 2 ) 2 2
2 2 2 1 = + 2 2 4

() = , , (4 ) = = , =
1 =0

( + )!( 1)! (1) ! ( + )!( 1 )!

1 4

( )2 + 2 1 (1 {1 + [( ) + ]}1/2 ) 2 2 4 ) ( ) 1 1 = ln + ( ) ( 1 1 ) + ln 2 (

= ( ) ( (2 1) 1 1 1 ) + ln 1 4 4 + ) ( ( ) 1 1 ln 1 + 2 2 )1/2 (1 + )! 21 ! ) ( + + 1 + 1 ( !)2
1

= 1 (

+1 2

(2 ) 2

+1 2

(2e) 4

67

 () = ( = (1)

+1 + 41 2

(2 + 1)( )! 4 ( + )!

)1/2

)1/2 2 ( + 1)(2 + 2) 1 = ( + )( 1)!(2 + 3) xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc bbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbb

68

[1] A. Messiah, Quantum Mechanics, Vol. I and II, North - Holland, Amsterdam (1970). [2] J. von Neumann, Matematische Grundlagen der Quantenmechanik, Springer, Berlin (1932); englesko izdanje: Mathematical Foundations of Quantum Theory, Princeton University Press, New Jersey (1983). [3] V. Aharonov, P. Bergman, and J. Lebowitz, Phys. Rev. A139, 1410 (1964). [4] Y. Aharonov and L. Vaidman, The Two-State Vector Formalism of Quantum Mechanics, publikovano u: Time in Quantum Mechanics, edited by J.G. Muga, R. Sala Mayato and I.L. Egusqiza, Springer Verlag (2002). [5] B. Reznik and V. Aharonov, Phys. Rev. A52, 2538 (1995). [6] Y. Aharonov and L. Vaidman, Phys. Rev. A 41, 11 (1990). [7] N. Ritchie, J. Story, and R. Hulet, Phys. Rev. Lett. 66, 1107 (1991). [8] Y. Aharonov, S. Nussinov, S. Popescu, and L. Vaidman, Phys. Rev. A 87, 014105 (2013). [9] L. Vaidman, Phys. Rev. A 87, 052104 (2013). [10] O. Hosten and P. Kwiat, Science 319, 787 (2008). [11] S. Kocsis, B. Braverman, S. Ravets, M. Stevens, R. Mirin, L. Shalm, and A. Steinberg, Science 332, 1170 (2011). [12] J. S. Lundeen, B. Sutherland, A. Patel, C. Stewart, and C. Bamber, Nature 474, 188 (2011). [13] Y. Aharonov and L. Vaidman, Phys. Rev. A41, 11 (1990). [14] N. N. Nedeljkovi c, Lj. D. Nedeljkovi c, R. K. Janev, and Z. L. Mi skovi c, Nucl. Instrum. Methods Phys. Res. B58, 519 (1991). [15] N. N. Nedeljkovi c, Lj. D. Nedeljkovi c, S. B. Vojvodi c, and M. A. Mirkovi c, Phys. Rev. B49, 5621 (1994). [16] Lj. D. Nedeljkovi c and N. N. Nedeljkovi c, Phys. Rev. B58, 16455 (1998). [17] N. N. Nedeljkovi c, Lj. D. Nedeljkovi c, and M. A. Mirkovi c, Phys. Rev. A68, 012721 (2003). [18] J. Bardeen, Phys. Rev. Lett 6, 57 (1961). [19] Y. N. Demkov and V. N. Ostrovskii, Zh. Eksp. Teor. Fiz. 69, 1582 (1975). [20] N. N. Nedeljkovi c and M. D. Majki c, Phys. Rev. A 76 (2007). c, M. D. Majki c, S. M. D. Galija s, and S. B. Mitrovi c, App. Surf. Sci. 254, [21] N. N. Nedeljkovi 7000 (2008).

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[22] N. N. Nedeljkovi c, S. M. D. Galija s, and M. D. Majki c, Surf. Sci. 603, 2403 (2009). [23] N. N. Nedeljkovi c, M. D. Majki c, and S. M. D. Galija s, J. Phys. B: At. Mol. Opt. Phys 45, 21502 (2012). [24] N. N. Nedeljkovi c, , S. M. D. G. M. D. Majki c, and M. A. Mirkovi c, J. Quant Spectrosc Radiat Transfer xx, ccc (2013). [25] N. N. Nedeljkovi c and Lj. D. Nedeljkovi c, Phys. Rev. A 72, 032901 (2005). [26] Lj. D. Nedeljkovi c, N. N. Nedeljkovi c, and D. K. Bo zani c, Phys. Rev. A 74, 032901 (2006). [27] N. N. Nedeljkovi c and D. K.Bo zani c, Phys. Rev. A 81, 032902 (2010). [28] Lj. D. Nedeljkovi c and N. N. Nedeljkovi c, The Physics of Ionized Gases, Invited lectures, topical invited lectrures and progress reports, Ed. N. Bibi c, T. Grozdanov and M. Radovi c pp. 219230 (2002). [29] J. Burgd orfer, in Review of Fundamental Processes and Applications of Atoms and Molecules, ed by C.D. Lin (World Scientic, Singapore, 1993). [30] S. Bashkin, H. Oona, and E. Veje, Phys. Rev. A 25, 417 (1982). [31] E. Veje, Nucl. Instrum. Methods Phys. Res. B 9, 586 (1985). [32] E. Veje and H. Winter, Zs. f. Phys. D 10, 457 (1988). [33] H. Winter, Phys. Rep. 367, 387 (2002). [34] Y. Morishita, R. Hutton, H. Torri, K. Komaki, T. Brage, K. Ando, K. Ishii, Y. Kanai, H. Masuda, M. Sekiguchi, et al., Phys. Rev. A 70, 012902 (2004). [35] G. Simons and A. N. Bloch, Phys. Rev. B 7, 2754 (1973). [36] N. Fr oman and P. O. Fr oman, in JWKB Approximation (ed North Holand and P. C., Amsterdam, 1965). [37] R. Hallin, J. A. Leavitt, A. Lindgard, P. W. Rathmann, H. Vach, and E. Veje, Nucl. Instrum. Methods 41, 202 (1982). [38] J. Ducr ee, F. Casali, and U. Thumm, Phys. Rev. A 57, 338 (1998). [39] J. Ducr ee, H. Andr a, and U. Thumm, Phys. Rev. A 60, 3029 (1999). [40] U. Wille, Phys. Rev. B 50, 1888 (1994). [41] D. Teillet-Billy and J. Gauyacq, Surf. Sci. 239, 343 (1990). [42] P. Nordlander and J. C. Tully, Phys. Rev. Lett. 61, 990 (1988). [43] P. Nordlander and J. C. Tully, Phys. Rev. B 42, 5564 (1990). [44] A. D. Parks, J. Phys. A. Math. Gen. 33, 2555 (2000).

70

[45] V. A. Mandelshtam, T. R. Ravuri, and H. S. Taylor, Phys. Rev. Lett. 70, 1932 (1993). [46] J. M uller, X. Yang, and J. Burgd orfer, Phys. Rev. A 49, 2470 (1994). [47] P. K urpick and U. Thumm, Phys. Rev. A 54, 1487 (1996). [48] E. B. Davies, Quantum Theory of Open Systems, Academic Press, London (1979). [49] D. W. R. O. Bratteli, Operator Algebras and Quantum Statistical Mechanics, Vol. I, Springer - Verlag, New York, Heidelberg, Berlin (1979). [50] The time symmetrized quantum mechanic which is the base of QTM was introduced by Aharonov et al [? ].

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