Applications of Schrodinger wave equation

To calculate the energy of a particle enclosed in one dimensional potential box of

infinite length. Let us consider a particle of mass m moving along x-axis between two rigid
walls A and B at x=0 and x=a as shown in the figure(1).
A particle is free to move between the walls. The P.E of the particle between the
walls is assumed to be constant because no force is associating on the particle. Hence P.E=0
When the particle strikes any one of the walls, it gets reflects back since the walls are
perfectly rigid (no energy transfer). Hence the force acting on the particle abruptly changes
from zero to finite value within a distance of zero with the wall. Hence the potential function
can be defined as follows

V(x) =0, 0<x<a

V(x) =, ax0

This potential function is known as square well potential.

0251658240
V m V

A B

X=0 X X=a

Figure (1): one dimensional potential well of infinite depth

The particle cannot come out of the box. Also, it cannot exist on the walls of the box.
So its wave function is 0 for x0 and xa. Now task is to find the value within the box
i.e., between x=0 and x=a.
The Schrodinger wave function for the particle is given by

2 2m( E V )
+ = 0 (1)
x 2 h2

Since V=0 between the walls

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 2 2mE
+ 2 = 0 (2)
x 2 h

2mE
K2 =
h2

2
+ K2 = 0 (3)
x 2

This is the wave equation for a free particle inside a potential well.

The solution of above equation (3) is given by

( x) = A sin kx + B cos kx ............(4)

Here A and B are constants two unknown constants

The values of these constants can be obtained by applying boundary conditions as follows

i)=0 at x=0, B must be zero

ii)=0 at x=a, Ka must be an integral multiple of

n
(x)=Asinkx, where k= , n = 1,2,3
a

Now the wave function becomes

nx
(x)= A sin ...............(5)
a

n 2 2
From the above equation K2= ...........(6)
a2

2mE 2mE
We know that K 2 = = 2
h2 h
4 2

8 2 mE n n 2 2
K2 = =
h2 a2

n2h2
En= .............(7)
8ma 2

Thus for each value of n the possible energy of the particle is given by Eq.(7). From
this we find that the total energy is quantized, n is quantum number. The value for A in Eq

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 a
dxdydz = 1

(5) can be obtained by normalization condition 0 . Since the particle is
inside the box of length a, the probability that the particle is found inside the box is unity.
a

2
x dx = 1
0

a
nx
A
2
sin 2 dx = 1
0
a

a
1 2nx
A2 1 cos dx = 1
0
2 a

a
A2 a 2nx
x sin =1
2 2n a 0

A2 a 2
= 1, A =
2 a

The normalized wave function is

2 nx
n = sin

a a

The wave functions n and the corresponding energies En, which are often called
eigen functions and eigen values respectively, describe the quantum state of the particle. The
electron wave function for the ground state and first two excited states of an electron in a
potential well are shown in Figure (2).
8
n = 3 sin k1 x sin k 2 x sin k 3 x.......... .......... .(8)
a
Where,

n1 n n
k1 = k2 = 2 k3 = 3
0251662336 a , a , a

0251664384
n=4 E4=16E1
3 E3 n=3 E3=9E1
n=2 E2=4E1
En n=1 2 2
E2 E1=h /8ma
2
3
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1
 Figure (2). Energy levels and wave functions

From the above expression it is clear that a particle inside an infinitely deep
potential well can have only discrete set of values for energy. .i.e., the energy of the
particle is said to be quantized.
The discrete energy values are given by

h2
E1= n=1
8ma 2

4h 2
E2= = 4 E1 n=2
8ma 2

9h 2
E3= = 9 E1 n=3
8ma 2

16h 2
E4= = 16 E1 n=4
8ma 2

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