Finite Square Well: Potential

V (x) =
_

_
V
0
x 0 region I
0 0 < x < L region II
V
0
x L region III
c L.Frommhold
. p.44/44
Finite Square Well: Schrdinger Eq.

2
2m
d
2

dx
2
+V
0
= E (regions I and III)

2
2m
d
2

dx
2
= E (region II)
For E < V
0
, that is

+k
2
= 0 (region II)

2
= 0 (regions I and III)
with k
2
= 2mE/
2
and
2
= 2m(V
0
E)/
2
.
c L.Frommhold
. p.43/44
Valid Wave Functions (x, t), (x)
Remember: Not every solution
of the Schrdinger equation is a wave function
must be nite everywhere
must be single valued everywhere
and /x must be continuous
must be square integrable
c L.Frommhold
. p.42/44
Finite Square Well: Solutions
General (mathematical) solution
(x) = Ae
x
+Be
x
regions I and III
(x) = C cos kx +D sin kx region II
Wave function (x)

I
(x) = Ae
x
in region I

II
(x) = B cos kx +C sin kx in region II

III
(x) = De
x
in region III
Require continuity of and

at x = 0 and x = L
c L.Frommhold
. p.41/44
Finite Square Well: Wave Functions
c L.Frommhold
. p.40/44
and Finite Square Well
Question:
Why lower
energies for
nite well ?
c L.Frommhold
. p.39/44
Bound States: Finite and Well
Compare wave functions for n = 1 state
c L.Frommhold
. p.38/44
Bound States: Finite and Well
Compare wave functions for n = 2 state
c L.Frommhold
. p.37/44
Bound States: Finite and Well
Compare wave functions for n = 3 state
c L.Frommhold
. p.36/44
Bound States: Finite and Well
Compare wave functions for n = 4 state
c L.Frommhold
. p.35/44
Correspondence Principle (n = 20)
|

2
0
(
x
,
t
)

|
2
For n clas-
sical bahavior ?
What is
classical
behavior ?
probability
= const
to nd particle at
x, dx
c L.Frommhold
. p.34/44
Schrdinger Eqn. in 3 Dimensions
Time-dependent equation i

t
= H(r, t)
with notation according to
H =

2
2m

2
+V (r)

2
2m

2
=
_
p
2
x
+p
2
y
+p
2
z
_
/2m
p
x
= i

x
, etc.
Time-independent equation H(r) = E (r)
with (r, t) = (r) exp (Et/)
c L.Frommhold
. p.33/44
Particle in 3-Dim. Innite Box
V (x, y, z) =
_
0 if 0 < x < L
x
; 0 < y < L
y
; 0 < z < L
z
elsewhere
Schrdinger eq.:

2
2m

2
(r) = E (r)
Ansatz:
(r) = u(x) v(y) w(z)
c L.Frommhold
. p.32/44
3-D Innite Box II

2
2m
_
u

v w +uv

w +uv w

_
= E uv w
Divide both sides by uv w

2
2m
_
u

u
+
v

v
+
w

w
_
= E = E
u
+E
v
+E
w
Separate variables to get

2
2m
u

= E
u
u, with u(0) = u(L
x
) = 0

2
2m
v

= E
v
v, with v(0) = v(L
v
) = 0

2
2m
w

= E
w
w, with w(0) = w(L
w
) = 0
c L.Frommhold
. p.31/44
3-D Innite Box III
Solution:
(r) = A sin k
x,n
x sin k
y,m
y sin k
z,
z
with k
x,n
= n/L
x
, k
y,m
= m/L
y
, k
z,
= /L
z
,
A =
_
8/(L
x
L
y
L
z
) and
E
mn
=

2

2
2m
_
n
2
L
2
x
+
m
2
L
2
y
+

2
L
2
z
_
In three dimensions, we have three quantum numbers
, m, n = 1, 2, 3
c L.Frommhold
. p.30/44
Harmonic Oscillator Classical
F = ma becomes x = m d
2
x/dt
2
(Note that this is the same DEq. as y

+
2
y = 0)
Solution: x(t) = Acos t +Bsin t, with
=
_
/m= classical oscillator frequency.
Potential energy PE =
1
2
x
2
(parabolic well)
Kinetic energy KE =
1
2
m x
2
Total energy E = PE +KE is a continuum,
somewhere between 0 and J.
c L.Frommhold
. p.29/44
Harmonic Oscillator Quantal
Schrdinger equation
_

2
2m
d
2
dx
2
+
1
2
x
2
_
= E
Solution

n
(x) =
_
m

_
1
4
1

2
n
n!
H
n
() e

2
/2
with =
_
m/ x; n = 0, 1, 2 ; =
_
/m; and
H
n
(x) = Hermite polynomials; H
0
= 1, H
1
= 2x,. . .
Energy E
n
= (n +
1
2
) quantized !
c L.Frommhold
. p.28/44
HO Results I
c L.Frommhold
. p.27/44
HO Results II
Wave functions
Note: a n = 0 state exists
(groundstate)
Also shown are the
n = 1, 2, 3 state wave functions
c L.Frommhold
. p.26/44
HO Some Basic Facts
Re-appearance of the classical oscillator frequency
transitions n n 1; E
n
=
Quantization of energy E
n
n
Remember freezing of vibrational states ?
Zero point energy E
0
=
1
2
,= 0 (Heisenberg !)
Even and odd wave functions:
even n even
n
; odd n odd
n
Corresponence principle as n
(next viewgraph)
c L.Frommhold
. p.25/44
HO Correspondence Principle
Classical harmonic oscillator: x(t) = Acos t;
velocity x = A sin t =

A
2
x
2
Time spent between x and x + dx: dt = dx/[ x[
Classical probability of nding particle at dx:
dT =
dt
T/2
=
2
T
dx

A
2
x
2
=
1

dx

A
2
x
2
Compare with QM (n = 10):
c L.Frommhold
. p.24/44
Correspondence Principle (n = 100)
. p.23/44
Short Summary
Denition:
O)
n
=
_

n
(x) O
n
(x) dx
H)
n
= E
n
; H
2
)
n
= E
2
n
; E
n
=
_
H
2
)
n
H)
2
n
= 0
E
n
is sharp, no uncertainty; a constant of motion
Innite square well: x)
n
= L/2
x
2
)
n
=
L
2
3
_
1
3
2n
2

2
_
(x)
2
=
L
2
12
_
1
6
n
2

2
_
p)
n
= 0 p
2
)
n
=
2
k
2
n
(p)
n
= k
n
x p (L/

12) n/L = n/

12 > /2
c L.Frommhold
. p.22/44
Square Barriers Classical
Kinetic particle energy
exceeds barrier height
KE > V
0
Classical result:
100% transmission
0% reection
Kinetic particle energy
less than barrier height
KE < V
0
Classical result:
0% transmission
100% reection
c L.Frommhold
. p.21/44
Square Wells and Free States
Kinetic energy > 0
Same case as KE
exceeds barrier height
when V
0
< 0
Classical result:
100% transmission
0% reection
c L.Frommhold
. p.20/44
Wave Picture of Square Barrier
Expect
1. an incident wave
2. a transmitted wave
3. a reected wave
Divide up space into

Region I: < x 0

Region II: 0 < x < L

Region III: L x <

and solve the Schrdinger equations
c L.Frommhold
. p.19/44
Free Particle Schrdinger Eq.
For V
0
= const, the Schrdinger eq. may be written
_

2
2m
d
2
dx
2
+V
0
_
(x) = E (x) or

k
2
= 0
with the (positive !) constant k
2
given by
k
2
=
_

_
(E V
0
) /(2m
2
) if E > V
0
(upper sign)
(V
0
E) /(2m
2
) if E < V
0
(lower sign)
Wave functions oscillatory (+ sign) or evanescent
( sign)
c L.Frommhold
. p.18/44
Difference of a Sign
For V
0
= const, the Schrdinger equation is of the
form

k
2
= 0, with solutions

+
(x) = Ae
kx
+Be
kx
or = C cos kx +D sin kx

(x) = F e
x
+Ge
x
or = H cosh x +I sinh x
For the + sign we get oscillatory solutions
so that k
2
= (E V
0
)/2m
2
and k = 2/
For the sign we get exponentials
so that k
2
=
2
= (V
0
E)/2m
2
and is the
reciprocal penetration depth, d = 1/
The sign of the constant k
2
is important !
c L.Frommhold
. p.17/44
Beams as Propagating Waves
Remember: (x, t) = (x) exp(E t/).
If (x) = exp(kx), (x, t) = exp (kx t) is a
wave traveling in the positive x-direction
If (x) = exp(kx), (x, t) = exp (kx +t) is a
wave traveling in the negative x-direction
c L.Frommhold
. p.16/44
Square Barriers
Region I:
I
(x) = Aexp(kx) +Bexp(kx)
= incident + reected wave
Region II, if E > V
0
:
II
(x) = C exp(k

x) +Dexp(k

x)
Region II, if E < V
0
:
II
(x) = C exp(x) +Dexp(x)
Region III:
III
(x) = F exp(kx)
no backward wave exists !
k
2
= 2mE/
2
(k

)
2
= 2m(E V
0
)/
2

2
= 2m(V
0
E)/
2
c L.Frommhold
. p.15/44
Reection and Transmission
Continuity of (x) at x = 0 and x = L
Continuity of d/dx at x = 0 and x = L
This gives 4 linear Equations for the 5 unknowns
A, B, C, D, and F that must be solved,
which leaves a scaling parameter free.
Reection and transmission coefcients:
R =
[
I
(reected)[
2
[
I
(incident)[
2
=
B

B
A

A
T =
[
III
(transmitted)[
2
[
I
(incident)[
2
=
F

F
A

A
c L.Frommhold
. p.14/44
Transmission and Reection Coeffs.
Make and

continuous at x = 0 and x = L !
Compute transmission coefcient
T =
F

F
A

A
Compute reection coefcient
R =
B

B
A

A
Note that
T +R = 1
c L.Frommhold
. p.13/44
Wave Functions (x) from y(x)
Square Barrier, if E > V
0
: continuity of and

at
boundaries, x = 0 and x = L

Region I: (x) = Aexp kx +Bexp kx

(incident and reected wave)

Region II: (x) = C exp k

x +Dexp k

Region III: (x) = F exp kx (no reected wave)

with
2
k
2
= 2mE and
2
k
2
= 2m(E V
0
).
Solving for A, B, and F, with E > V
0
, we get
T =
F

F
A

A
=
1
1 +
V
2
0
sin
2
k

L
4E(EV
0
)
and T +R = 1
c L.Frommhold
. p.12/44
Square Barriers with E > V
0
Note: the sign of V
0
does not matter
100% transmission if k
2
L = n
anti-reection coating of optical lenses
c L.Frommhold
. p.11/44
(x) from y(x), The Other Case
Square Barrier, if E < V
0
: continuity of and

at
boundaries, x = 0 and x = L

Region I: (x) = Aexp kx +Bexp kx

(incident and reected wave)

Region II: (x) = C exp x +Dexp x

Region III: (x) = F exp kx (no reected wave)

with
2
k
2
= 2mE and
2

2
= 2m(V
0
E).
Solving for A, B, and F, we get
T =
F

F
A

A
=
1
1 +
V
2
0
sinh
2
L
4E(V
0
E)
and T +R = 1
c L.Frommhold
. p.10/44
Square Barrier with E < V
0
Note that (sinh x)
2
> 0
Tunneling is unheard of in classical physics !
But it is well known in wave optics
c L.Frommhold
. p.9/44
Alpha-Decay
Radioactivity: -decay,
e.g.,
241
Am
237
Np +
or generally
A
Z
A4
(Z2) +
strong force overcomes
Coulomb repulsion;
binding the nucleons
and particles.
But, if E() > 0, the particle will tunnel rays !
(nuclei stable if E() < 0)
c L.Frommhold
. p.8/44
Energy from Nuclear Fusion
D +D
3
He +n + 3.27 MeV
D +D T +H + 4.05 MeV,
D +T
4
He +n + 17.6 MeV
D +
3
He
4
He +H + 18.3 MeV, etc.
But strong Coulomb repulsion tends to oppose fusion:
Need high temperatures ( 10
7
K) and tunneling
c L.Frommhold
. p.7/44
Molecular Physics: NH
3
nitrogen wavefunctions: tunneling!
c L.Frommhold
. p.6/44
Tunneling of e.m. Waves
Total Reection
an evanescent (nonpropagating)
wave exists
Pick up transmitted wave,
employing a second prism:
tunneling of e.m. waves
c L.Frommhold
. p.5/44
Field Emission
Field emission:
tunneling
V (x) = W e c x
Scanning
tunneling
microscope:
c L.Frommhold
. p.4/44
Square Wells/Barriers: Summarizing
Why do we study square wells/barriers?
Because math is simple when V = const.
Sinusoidal/exponential wave functions
Know wave functions, know everything!
Simple models of complex systems
for intuitive understanding of quantum phenomena
Free and bound states:
Bound states: standing waves; energies quantized
Free particles: no energy quantization
But angular momentum is always quantized,
as we will see.
c L.Frommhold
. p.3/44
Barriers and Wells
Tunneling impossible in classical physics
radioactivity, nuclear fusion, tunneling microscopes,
semiconductor devices,. . .
Transmission and reection properties
resemble closely those of e.m. radiation
(but not predictions of classical mechanics)
Physical meaning of quantum number n
n counts nodes
energies increase with number of nodes
c L.Frommhold
. p.2/44
Related Cases and Approximations
The piecewise constant potential function can be used
to approximate arbitrary potential functions:
Construct overall wave function
with any desired precision !
c L.Frommhold
. p.1/44