Solving Schrodinger equation: particle in a box

Particle in an infinite potential well:

The potential can be defined as,

Time independent Schrodinger equation can be written as,

1
 Contd.

Solution

The solution will give

This will give two possible classes of solutions

(1)
(2)
n is odd integer for the first case
This will be only possible when
and even integer for the second case

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A different approach
∞ ∞
Let’s consider the boundary walls of the well
are situated at x=0 and x=a
The Schrödinger equation can be written
for free particle as, v=0
−ℏ2 𝜕 2 𝜓
= 𝐸𝜓 V=0
2𝑚 𝜕𝑥 2 X=0 X=a

𝜕2 𝜓
This will be simplified as, + 𝑘2𝜓 = 0 Where 𝑘 2 =
2𝑚𝐸
𝜕𝑥 2 ℏ2

The solution will give, 𝜓 = 𝐴 sin 𝑘𝑥 + B cos 𝑘𝑥

At x=0, Ψ=0
That is only possible when B=0
Thus, the wavefunction will be, 𝜓 = 𝐴 sin 𝑘𝑥
Now at x=a, Ψ=0
That will lead to 𝐴 sin 𝑘𝑎 = 0

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Contd.

𝐴 ≠ 0, and 𝑘𝑎 = 𝑛𝜋 Where n is positive integers 1, 2, 3…

This will lead to 𝑘 2 𝑎2 = 𝑛2 𝜋 2

2𝑚𝐸𝑛 𝑎2
2
= 𝑛2 𝜋 2
ℏ
𝜋2 𝑛2 ℏ2
The energy levels can be given as, 𝐸𝑛 = 2𝑚𝑎2

𝑛𝜋
The wave function will be given as, 𝜓 = 𝐴 sin 𝑥
𝑎

The unknown constant A can be determined by doing the normalization

We know the total probability of finding the particle in space is 1

∞
න 𝜓 ∗ 𝜓𝑑𝑥 = 1
−∞
𝑎
𝑛𝜋 2 The wavefunction exists only
න 𝐴2 (sin 𝑥) = 1 inside the well
0 𝑎
4
Contd.

2
The solution will lead to 𝐴 = 𝑎

2 𝑛𝜋𝑥
Thus, the final solution can be written as, 𝜓𝑛 𝑥 = sin( )
𝑎 𝑎

The solution tells that the discrete energy levels will form corresponding to
the wavefunctions

The energy levels show

higher difference with
higher orders

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Wavefunction

Probability

x=0 x=a x=0 x=a

Higher order wavefunctions have Nodes denotes zero probability (a forbidden
more number nodes zone for the particle)
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 Orthogonality

The wavefunctions corresponding to different energy levels are said to be orthogonal

i.e. they do not overlap with each other

∞ ∗ 𝑥 𝜓 𝑥 𝑑𝑥 = 𝛿
Thus, ‫׬‬−∞ 𝜓𝑚 𝑛 𝑚𝑛

𝛿𝑚𝑛 = 1 (m=n)
= 0 (m ≠ 𝑛)

Confinement and uncertainty

The width of the well decides the uncertainty in position. Thus, ∆𝑥 = 𝑎

ℏ
From Heisenberg’s uncertainty principle, one can write ∆𝑝~ 𝑎

∆𝑝2 ℏ2
Thus kinetic energy will vary like ∆𝐸~ 2𝑚 ~ 2𝑚𝑎2

More the particle is confined, higher the uncertainty in energy

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 One dimensional finite square well

Inside the well, the potential energy can be written as,

8
Contd.

For K2 >0 (As V0>0), we will have the general solution

(1)
(2)

(3)
(4)

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Contd.

Equations (1) & (3) give (5)

(6)

Equations (2) & (4) give

(7)
(8)
Equations (5) & (7) give
When 𝐶 ≠ 𝐷, 𝑎𝑛𝑑 𝐴 ≠ 0

Equations (6) & (8) give When 𝐶 ≠ −𝐷, 𝑎𝑛𝑑 𝐵 ≠ 0

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Eigenfunctions

Note: It is interesting to see that the wavefunctions extend to the

classically forbidden region of 𝑥 < −𝑎 𝑎𝑛𝑑 𝑥 > 𝑎

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 Energy levels

Energy levels can be found by solving the

correlation between k and K
Taking and ,

Where

Since 𝜉 𝑎𝑛𝑑 𝜂 are positive, the intersection

of the circle with radius 𝛾 and the
tangent/cotangent function will give the
energy levels

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 Particle scattering by barrier

Barrier scattering is one of the most important phenomena in physical systems

The energy and width of the barrier determine the nature of particle scattering

The potential step

The potential for the system is given by,

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The quantum picture: step potential

Case I: E>V0

In region I, the time independent Schrodinger

equation can be given by

The solution can be given by,

In region II, the time independent Schrodinger

equation can be given by

The solution can be given by,

The particle is moving from left to right , as a result the D term will be zero

14
Contd.

The wavefunctions will be,

Note: as E>V0, then 𝑘 > 𝑘 ′ , as a result C>A, and the transmitted wave will have
higher amplitude compared to the incident wavefunction
Now the probability current density can be written from the definition as,

If jin, jre, jtr represents the probability current density of incident, reflected
and transmitted wave, then one can estimate them as,
15
Contd.

The probability of reflection from the barrier is given by reflection coefficient (R)

Similarly, the probability of transmission through the barrier is given by transmission

coefficient (T)

Note: 𝑅 + 𝑇 = 1
The addition of R and T will always give 1

The value of K and K’ will determine the value of R and T

16
 Contd.
Case II: E<V0
Region I will be similar like the previous case
In region II, the time independent Schrodinger
equation can be given by

Since 𝐾 2 > 0, the solution can be written as

The wavefunction should not become infinite at infinity, this is only possible if D=0

Thus,

Note: In this case, there is decaying wavefunction in the classically forbidden region

Using the previous technique, one can determine

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Wavefunction at the barrier

The R and T will vary as function of E/V0 as,

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The square potential barrier

The potential of the one-dimensional

square barrier is given as,

For region I and III, the particle is free, thus we can write the differential
equation as,

19
Contd.

Now, in Region III, the wave will travel only in the forward direction
This will imply G=0
In region II, the time independent Schrödinger equation can be written as,

The general solution of this equation will be,

20
Contd.

The complete wavefunction can be written as,

21
 Contd.

Solutions of these equations will lead to

and

Using the obtained value of C and D, we will get,

22
Contd.

Inserting the value of D/C, we will get

Similarly, F/A can be obtained as,

Thus, the reflection and transmission coefficient can be written as,

One can easily check that R+T=1

23
Contd.

Case II E<V0
Region I and III will be similar like the previous case,
Only change will occur in the region II

The eigenfunction in region II will be given by,

Using the similar treatment like the previous one the reflection and transmission
co-efficient can be determined as,

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Quantum tunnelling

The result shows that for E<V0 there is a finite probability of the wave tunnelling through the
barrier which was classically forbidden. This phenomena is known as quantum tunnelling

With approximation, the tunnelling probability (transmission coefficient) is given by,

This shows, the height of V0 and width a determines the tunnelling probability. For
very high value of V0 and a, the tunnelling probability tends to zero.

Several physical phenomena like α-decay can be explained using the quantum
tunnelling phenomena

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Linear Harmonic Oscillator

The force acting on the particle executing linear harmonic oscillation is given by, 𝐹 = −𝑘𝑥
Where x is the displacement from the equilibrium position and k is the force constant

The negative sign denotes the opposite direction of restoring force to the displacement
1
Thus, the potential related to this force is given by, 𝑉 𝑥 = 2 𝑘𝑥 2

Subsequently, the time independent Schrodinger equation can be written as,

ℏ2 𝜕 2 𝜓 1 2
− + 𝑘𝑥 𝜓 = 𝐸𝜓
2𝑚 𝜕𝑥 2 2

𝑘
Where k is given as, ω = (𝑤ℎ𝑒𝑟𝑒 𝜔 𝑖𝑠 𝑎𝑛𝑔𝑢𝑙𝑎𝑟 𝑓𝑟𝑒𝑞𝑢𝑒𝑛𝑐𝑦 𝑎𝑛𝑑 𝑚 𝑖𝑠 𝑚𝑎𝑠𝑠)
𝑚

The solution of this equation involves advanced differential equation knowledge

Those who are interested may look at any graduate level quantum physics book

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Contd.

The final solution of the equation will give,

Where 𝐻𝑛 𝛼𝑥 is the Hermite polynomial and α is given as,

The solution also leads to the energy value as,

Thus, for n=0 (ground state) is not at zero,

rather has a value of

This is known as zero-point energy. This also

agrees with the Heisenberg’s uncertainty
principle. Energy levels

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Wavefunctions

One should notice that the

wavefunction shows higher number of
nodes with higher order like the
wavefunction achieved with one-
dimensional potential well problem

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