Application of Schrodinger
Equation.
Particle In One Dimension
e,g – Particle in a box
∞ ∞
Consider the motion of a particle of mass ‘m’
along x- axis and confined between the walls of
the container of length ‘a’.
The Schrodinger’s equation in one dimension is
given by:
….. (1)
Since the particle travels along x-axis only and is
moving in the region x = 0 and x = a.
For these values of x, the particle is free and the
potential energy ‘V’ is taken as zero.
However, beyond this region the potential energy
is infinitely high and there will be zero probability
of finding the particle.
Therefore Ψ2 must be zero for x<0 and x>a. So
also must Ψ be zero in these regions.
Since the function Ψ must be zero outside the
region ‘0’ and ‘a’. It must be continuous in the
region x= 0 and x= a. At x= 0 and x= a, it is equal
to zero.
The region 0<x<a, the potential energy V=0, and
the Schrodinger equation reduces to
…. (2)
According to one of the postulates of quantum
mechanics for a given state of the system, energy
E is constant. Thus,
…… (3)
Where 𝛼 " is a constant independent of x.
Substituting (3) in (2)
…… (4)
On solving the differential equation (4) we
get the general solution i.e.
𝝍 = 𝑨𝒔𝒊𝒏 𝜶𝒙 + 𝑩𝒄𝒐𝒔𝜶𝒙 …… (5)
Where, ‘A’ and ‘B’ are constants.
To satisfy the boundary condition, Ψ=0 at
x=0,equation (5) becomes
Or
Putting B = 0 in equation (5), we get
𝝍 = 𝑨𝒔𝒊𝒏 𝜶𝒙 …… (6)
When x = a, we can write the above equation
as:
𝝍 = 𝑨𝒔𝒊𝒏 𝜶𝒂 …… (7)
The
Theright
rightside
sideofof
equation (5)(7)
equation cancan
be zero only
be zero
when
only either
whenA=0 𝛂a =or0. sin 𝛂a = 0.
or sinA=0
either
then𝚿𝚿will
IfIfAA==0,0,then willbebezero
zeroat at
allall
points in in
points the
box
the which is impossible,
box which therefore
is impossible, therefore
sin𝛂𝛂aa==00
sin
This is valid only when 𝛂a is an integral
This is valid only
multiple of nπ, i.e. when 𝛂 a is an integral
multiple of nπ, i.e,
𝒏𝝅
𝜶= …… (8)
𝒂
The corresponding wave functions can be obtained by
substituting the value of 𝛂 from equation (8) in
equation (6).
Substituting the value of 𝛂 from equation (8) in
equation (3), we get
𝒏𝟐 𝒉𝟐
𝑬𝒏 = …… ( 9)
𝟖𝒎𝒂𝟐
This equation (9) suggests that a particle
moving in one dimensional box can have only
discrete energy values.
In other words, the energy is quantized because
n can have only integral values.
These are the allowed or quantized values of energy
for the particle in one dimension.
The values of energy is directly proportional to n2
and this rises rapidly as the number of nodes
increases. The lowest energy level (n=1) is
Thus, the particle will have this minimum energy
which is sometimes called the zero point energy.
The next higher energy level (n = 2) is given
by:
It is four times higher than the minimum
energy. Similarly, for n = 3 or n = 4, the energy
will be 9 or 16 times more than the minimum
value.
For the motion of the particle in three dimension,
the allowed energy levels are
Where, a,b,c are the lengths of the sides of the
box in x,y,z directions respectively.
Numerical:
Calculate the energy (in eV) of an electron in third
energy level confined to one dimensional box of width
3 Å. (h = 6.63 x 10-34 Js-1, m = 9.1 x 10-31 kg, 1eV =
1.6 x 10-19 J) (ans: 6.03 x 10-18 J or 37.68 eV)
Degeneracy :- different arrangements of a physical
system which have the same energy.
Two or more different physical states are said to be
degenerate if they are all at the same energy level.
Physical states differ if and only if they are linearly
independent.
An energy level is said to be degenerate if it
contains two or more different states. The number
of different states at a particular energy level is
called the level's degeneracy.
