University of Connecticut

DigitalCommons@UConn
Chemistry Education Materials Department of Chemistry

8-1-2006

The Harmonic Oscillator, The Hermite Polynomial

Solutions
Carl W. David
University of Connecticut, Carl.David@uconn.edu

Follow this and additional works at: http://digitalcommons.uconn.edu/chem_educ

Part of the Chemistry Commons

Recommended Citation
David, Carl W., "The Harmonic Oscillator, The Hermite Polynomial Solutions" (2006). Chemistry Education Materials. 17.
http://digitalcommons.uconn.edu/chem_educ/17
 The Harmonic Oscillator, The Hermite Polynomial Solutions

C. W. David
Department of Chemistry
University of Connecticut
Storrs, Connecticut 06269-3060

(Dated: August 1, 2006)

!1/4 1/4
I. SYNOPSIS 1

h2
= k
=
k
h2
The Harmonic Oscillators Quantum Mechanical solu-
tion involves Hermite Polynomials, which are introduced With this choice, the differential equation becomes
here in various guises any one of which the reader may
find useful as a starting points. 2
x2 =  (2.5)
x2
II. WRITING THE SCHRODINGER EQUATION where
IN DIMENSIONLESS FORM q
h2
2 k E 2E k
p
22 E
The relevant Schrodinger Equation is = = =
h2 h2 h
h2 2 k III. GUESSWORK FOR THE GROUND STATE
+ z 2 = E (2.1)
2 z 2 2
The easiest solution to this differential equation is
where k is the force constant (dynes/cm) and is the
x2
reduced mass (grams). Cross multiplying, one has e 2

2 k 2 which leads to
2 z 2 = 2 E (2.2)
z 2 h h s
h k
which would be simplified if the constants could be sup- E=
pressed. To do this we change variable, from z to some- 2
thing else, say x, where z = x. Then
x 1 IV. A GENERATING FUNCTION SCHEME
= =
z z x x
so Given
x2
2 0 = |0 >= e
 
1 k 2 2
2 2 x2 = 2 E (2.3)
2 x2
h h
with  = 1, it is possible to generate the next solution by
and using
2 k 2
2 4 x2 = 2 2 E (2.4) N+ = +x (4.1)
x2 h h x
which demands that we treat as an operator, which ladders up from the ground (n=0)
k 4 state to the next one (n=1) To see this we apply N + to
1= 0 obtaining
h2

 
x2 2
+ +
N 0 = N |0 >= + x e 2 = (x) 0 + x0 = 2xex /2 = 1 = |1 > (4.2)
x

Typeset by REVTEX
 2

Doing this operation again, one has

 
x2 2
+
N 1 = N |1 >=+
+ x 2xe 2 = (2 + 4x2 )ex /2 (4.3)
x

etc., etc., etc.. where H(x) is going to become a Hermite polynomial.

One then has

V. HERMITE POLYNOMIAL DEFINITION

d 2 2 dH(x)
= xex /2 H(x) + ex /2
Assuming dx dx

2
= ex /2
H(x) and

d2 2 2 2 dH(x) 2 d2 H(x)
2
= ex /2 H(x) + x2 ex /2 H(x) 2xex /2 + ex /2
dx dx dx2
From Equation 2.5 one has,
2 2 2 dH(x) 2 d2 H(x) 2

2
x2 = ex /2 H(x) 2xex /2 + ex /2 = ex /2 H(x) (5.1)
x dx dx2

or one has
2
dH(x) d H(x)
H(x) 2x + = H(x) (5.2) dy
dx dx2 = 2xdx
y
which we re-write in normal lexicographical order

d2 H(x) dH(x) so, integrating each side separately, one has

2
2x (1 )H(x) = 0 (5.3)
dx dx
This is Hermites differential equation. `ny = x2 + `nC

or, inverting the logarithm,

VI. GENERATING HERMITES
DIFFERENTIAL EQUATION
2
y = Cex
Starting with
dy
+ 2xy = 0 (6.1) We now differentiate Equation 6.1, obtaining
dx

d2 y d(xy) d2 y dy dx d2 y dy
2
+ 2 = 2
+ 2x + 2y = 2
+ 2x + 2y = 0 ; n = 0 (6.2)
dx dx dx dx dx dx dx
Doing this again, i.e., differentiating this (second) equation (Equation 6.2), one has
   
d2 y 2 dy dy
d dx 2 d2x d(y)
dy d dx d dx
 
dy
dx
+ +2 = 2
+ 2x + 4 = 0; n = 1
dx dx dx dx dx dx

which is the same equation, (but with a 4 multiplier of the last term) applied to the first derivative of y. Take
 3
2
the derivative again: f(x) has the form g(x)ex where g(x) is a polynomial in
 2 dy dy  x.
d d dx dy
d dxdx 2 + 2x dx + 4 dx
=0
dx
i.e., 2 2
d2 g(x)ex dg(x)ex 2
 2
d y
  2
d y
 + 2x + 2(n + 1)g(x)ex = 0
d2 dx2 d dx2

d2 y
 dx 2 dx
+ 2x +6 =0
dx2 dx dx2

d2 f (x) df (x)
2
+ 2x + 6f (x) = 0 ; n = 2 i.e.,
dx dx

2
g 00 (x) 4xg 0 (x) 2g(x) + 4x2 g(x) + 2xg 0 (x) 4x2 g(x) + 2(n + 1)g(x) ex = 0

or i.e.,
g 00 (x) 2xg 0 (x) + 2ng(x) = 0 2
= 2(1)a2 + (3)(2)a3 x + (4)(3)a4 x2 +
and we had x2

H 00 (x) 2xH 0 (x) (1 )H(x) = 0 2x = 2a1 x1 2a2 x2 2a3 x3
x
which leads to ( 1) = ( 1)a0 + ( 1)a1 x + ( 1)a2 x2 = 0
2n = 1 + 
which leads to
i.e.,
p (2)(1)a2 + ( 1)a0 = 0 (even)
2E /k
 = 1 + 2n =
h
i.e., (3)(2)a3 + ( 1)a1 2a1 = 0 (odd)
s
1 k (4)(3)a4 2a2 + ( 1)a2 = 0 (even)
E = h(n + )
2
(5)(4)a5 2a3 + ( 1)a3 = 0 (odd)
VII. FROBENIUS, BRUTE FORCE,
METHODOLOGY which shows a clear division between the even and the
odd powers of x. We can solve these equations sequen-
tially.
The most straight forward technique for handling the We obtain
Hermite differential equation is the method of Frobenius.
We assume a power series Ansatz (ignoring the indicial 1
a2 =
equation argument here), i.e., (2)(1)
X
= ai xi
i=0 2+1
a3 = a1
and substitute this into Equation 5.3, obtaining (3)(2)

2 X
= i(i 1)ai xi2
  
x2 2+1 2+1 1
i=2 a4 = a2 =
(4)(3) (4)(3) (2)(1)
X
2x = 2 iai xi i.e.,
x i=1
 
(3 )(1 )
X
( 1) = ( 1) ai xi = 0 a4 =
i (4)(3)(2)(1)
 4

etc.. positive infinity as x varies, leading one to require that

This set of even (or odd) coefficients leads to a series the series be terminated, becoming a polynomial.
which itself converges unto a function which grows to We leave the rest to you and your textbook.