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PROGRAM NO -10

Energy Eigenvalues of a
Quantum Oscillator

The Harmonic Oscillator


The harmonic oscillator is a fundamental problem in classical dynamics as well as in
quantum mechanics. It represents the simplest model system in which attractive forces are
present and is an important paradigm for all kinds of vibrational phenomena. It can be
described classically as a particle subject to a restoring force that is proportional to the
displacement of the particle.
In classical physics this meansF=ma=m

d2 x
=kx
2
dt

Where k is force constant.


A SIMPLE SOLUTION to this equation is that the displacement x is given by
x=sin(

k
t)
m

where under the root term plays the role of angular frequency.

Quantum Harmonic Oscillator


Because an arbitrary potential can be approximated as a harmonic potential at the vicinity of
a stable equilibrium point, quantum oscillator is one of the most important model systems in
quantum mechanics. Furthermore, it is one of the few quantum-mechanical systems for which
an exact, analytical solution is known. The study of quantum mechanical harmonic motion
begins with the specification of the Schrdinger equation. The quantum mechanical version
of this harmonic oscillator problem may be written as

2 d (x)
=[ EV ( x ) ] ( x)
2 m d x2
known as Schrdingers Equation and m is mass, E is energy, V(x) is potential. Without
V(x) particle describe the free particle motion quantum mechanically.
By considering the limiting behaviour as x
energies En yield reasonable solutions

( x)

and as x0, one finds that only certain


. The energy eigenvalues and associated

eigenvectors are
En

1
(n+ )
2
2

( x )= A H n ( x )e

x
2

Here Hn is Hermite function and An is normalization constant. Ground state (n=0) wave
function ( x ) has Gaussian distribution.

Our main aim is to find Eigenvalues and for that we choose a symmetric potential
1
V (x )= x2
(x)
, guess the value of E and using V(x) and E find the values of
2
considering h=m=1. If its a Gaussian then our guess is right otherwise we go for another
guess. Also the additional initial conditions need for runge-kutta method are given by Parity
according to which if function is even its parity is 1 and -1 if it is odd. Before going for
program lets study about Runge-Kutta method.

Runge-kutta method
The RungeKutta method of integrating

dy
=f (x , y)
dx
is a step-by-step process of obtaining an approximation for yi+1 by starting from the value of
yi. Among its advantages are that no functions other than f are used, no subsidiary
differentiation is needed and no additional starting values need be calculated.
To be set against these advantages is the fact that f is evaluated using somewhat
Complicated arguments and that this has to be done several times for each increase in the
value of i. However, once a procedure has been established, for example on a computer, the
method usually gives good results.
The basis of the method is to simulate the (accurate) Taylor series for y(x i+h),not by
calculating all the higher derivatives of y at the point xi but by taking a particular combination
of the values of the first derivative of y evaluated at a number of carefully chosen points.
The Runge-Kutta 4th order method is based on the following
yi 1 yi a1k1 a 2 k 2 a3 k 3 a4 k 4 h

(1)
y yi

where knowing the value of

y yi 1

xi

at

, we can find the value of

xi 1

at

, and

h xi 1 xi

Equation (1) is equated to the first five terms of Taylor series

dy
yi 1 yi
dx

Knowing that

1 d2y
1 d3y
2
xi , yi xi 1 xi
x , y xi 1 xi
2! dx 2 i i
3! dx 3
1 d4y
xi 1 xi 4

4 xi , yi
4! dx

dy
f x, y
dx

xi , yi

xi 1 xi

(2)

xi 1 xi h

and

y i 1 y i f xi , y i h

1 '
1
f xi , y i h 2 f
2!
3!

''

xi , y i h 3 1

4!

'''

xi , y i h 4
(3)

Based on equating Equation (2) and Equation (3), one of the popular solutions used is

y i 1 y i

1
k1 2 k 2 2 k 3 k 4 h
6

(4)

And,
k1 f x i , y i

(5a)

1
1

k2 f xi h, yi k1h
2
2

(5b)

1
1

k 3 f x i h, y i k 2 h
2
2

(5c)

k 4 f xi h, y i k 3 h

(5d)

Algorithm

We define the function

Take input values of

Input the initial values of

t
()
,
1+ f 0 cos sin x
F ( x , v , t )=cv

cf 0

in command window,

x=0.01, v=0.01, w=5, tf =10,t=0 ,


Input the number of time steps h ,

Input time step n=(tf ti)/h ,

Using Runge-Kutta method solve the differential equation,


t
()
1+ f 0 cos sin x
F ( x , v , t )=cv

Loop: i from 0 to n ,
k 1=hf ( x , v , t)

k 2=hf (x +(h(v /2)), v +( k 1/ 2) , t+(h/2))


k 3=hf ( x +hv /2+hk 1/4, v+ k 2/2, t +h/2)

k 4=hf ( x +hv +hk 2/2, v +k 3, t + h)


x=x+(h(v +((k 1+k 2+k 3)/6)))

v =v +((k 1+(2k 2)+(2k 3)+k 4 )/6)


7

Take output & Plot x vs v.