23PHY115- MODERN

PHYSICS
 Syllabus

 Unit 4
Application of 1D Schrodinger Wave equation: Free particle, Particle in a box,
Finite potential well, Tunnel effect, Harmonic oscillator.
 Application of 1D Schrodinger Wave equation

1) Particle in a box (potential well)

 Particle in a box (Infinite potential well)

Consider a particle of mass ‘m’ moving inside a

box of height ∞ and width ‘L’. Since the box has
infinite height (infinite potential barrier) the
particle cannot come outside rather it moves
back and forth inside the box.
The potential box is mathematically represented by

𝑽=𝟎 𝟎<𝒙<𝑳
𝑽=∞ 𝒙<𝟎
𝑽=∞ 𝒙>𝑳
Aim
To determine the wave function 𝜓 𝑥 and the allowed energy values of the
particle confined to the box, using time independent Schrodinger equation.
Where the potential is zero (inside the box), the Schrödinger wave equation
becomes:
ђ2 𝑑2 𝜑
− 2
𝑥 + 𝑉𝜑 𝑥 = 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥

Inside the box V=0. So the above equation becomes

ђ2 𝑑 2 𝜑 𝑑2 𝜑 2𝑚
− = 𝐸𝜑 or = − 2 𝐸𝜑
2𝑚 𝑑𝑥 2 2
𝑑𝑥 ђ

Put 2𝑚𝐸 2
= 𝑘
ђ2
 𝑑2 𝜑 2𝜑
= −𝑘
𝑑𝑥 2
The general solution of this equation is

ψ(x) = A sin kx + B cos kx (1)

where A and B are constants to be evaluated from the boundary conditions.

The boundary conditions are

(i) at x=0, Ѱ must be zero, and
(ii) at x=L, Ѱ must be zero
Applying the first boundary conditions to equation (1), we get x=0,
Ѱ=0.
ψ(x) = A sin kx + B cos kx (1)

0 = 𝐴𝑠𝑖𝑛𝐾0 + 𝐵𝑐𝑜𝑠𝐾0
0=𝐵
𝜑 𝑥 = 𝐴𝑠𝑖𝑛𝐾𝑥 (2)

Applying the second boundary conditions to equation (2), we get

x=L, Ѱ=0
0 = 𝐴𝑠𝑖𝑛𝐾𝐿 𝑜𝑟 𝑠𝑖𝑛𝐾𝐿 = 0
 But we know that
𝑠𝑖𝑛𝑛𝜋 = 0 𝑓𝑜𝑟 𝑛 = 1,2,3 … .
Comparing the two we get
𝐾𝐿 = 𝑛𝜋
𝑛𝜋
𝐾= (3)
𝐿
Putting this in equation (2), we get
𝑛𝜋
𝜑𝑛 𝑥 = 𝐴𝑠𝑖𝑛 𝑥 (4)
𝐿

𝜑 𝑥 is replaced by 𝜑𝑛 𝑥 since on R.H.S. n can take values n=1,2,3…..

The constant A can be evaluated by normalising the wave function.
Normalisation of the wave function
The probability of finding the particle inside the box should be one.
𝐿
න 𝜓 ∗ 𝜓𝑑𝑥 = 1
0

𝐿
𝑛𝜋𝑥 𝑛𝜋𝑥
න 𝐴𝑠𝑖𝑛 Asin 𝑑𝑥 = 1
0 𝐿 𝐿

𝐿
𝑛𝜋𝑥
𝐴2 න 𝑠𝑖𝑛2 𝑑𝑥 = 1
0 𝐿
 𝐿
2
1 − 𝑐𝑜𝑠2𝑛𝜋𝑥
𝐴 න 𝑑𝑥 = 1
0 2𝐿

𝐴2 𝑠𝑖𝑛2𝑛𝜋
𝐿− =1
2 2𝑛𝜋
𝐿
𝐴2 𝐿
=1
2
2 2
2
𝐴 = 𝑜𝑟 𝐴 =
𝐿 𝐿

So the normalised wave functions of the particle are

𝟐 𝒏𝝅𝒙
𝝍𝒏 𝒙 = 𝒔𝒊𝒏
𝑳 𝑳
Energy eigen values of the particle

From equation (3), we have

𝑛𝜋
𝐾= 𝑛 = 1,2,3, … 5
𝐿
2𝑚𝐸
Using = 𝑘2
ђ2

Squaring equation (5) and substitute for 𝑘 2

𝑛 2𝜋2
𝐾2 = 2
𝐿
 2𝑚𝐸 𝑛2 𝜋 2
2
= 2
ђ 𝐿
𝑛2 𝜋 2 ђ2
𝐸= 2
𝑛 = 1,2,3, … . .
2𝑚𝐿

Since n can take values 1,2,3,…. So also E. Thus E is relabelled as 𝐸𝑛

𝑛2 𝜋 2 ђ2
𝐸𝑛 = 2
𝑤𝑖𝑡ℎ 𝑛 = 1,2,3, … . .
2𝑚𝐿

Each value of n, there is an energy level. Each value of 𝐸𝑛 is called an eigen value.
 Note:
It may also be noted that the lowest possible energy of the particle
corresponding to n=1. we call this as the ground state of the particle.

𝜋2 ђ2
Ground state energy, 𝐸1 =
2𝑚𝐿2

ℎ2 ℎ
𝐸1 = ђ=
8𝑚𝐿2 2𝜋
 Tunnelling Effect

• When a particle of energy E<U approaches a

potential barrier, according to classical mechanics
the particle must be reflected. In quantum
mechanics, the de Broglie waves that correspond to
the particle are partly reflected and partly
transmitted, which means that the particle has a
finite chances of penetrating the barrier.
 Finite potential well

Consider a particle of mass ‘m’ moving inside the

box of height U (finite well) and width L.
 Finite Potential Well
▪ The potential energy is zero (U(x) = 0) when the
particle is 0 < x < L (Region II)
• The energy has a finite value (U(x) = U) outside
this region, i.e. for x < 0 and x > L (Regions I and
III)
▪ We also assume that energy of the particle, E, is
less than the “height” of the barrier, i.e. E < U
➢ According to classical mechanics, when the particle strikes the sides of the
well, it bounces off without entering regions I and III.
➢ In quantum mechanics , the particle also bounces back and forth, but now it
has a certain probability of penetrating into regions I and III even though E<U.
 Finite Potential Well

The potential box is mathematically represented by

I. x < 0; U(x) = U

II. 0 < x < L; U(x) = 0

III. x > L; U(x) = U

 Finite Potential Well: Region II
U(x) = 0 •
Where the potential is zero (inside the box), the
Schrodinger wave equation becomes:
ђ2 𝑑2 𝜑
− 2
𝑥 + 𝑉𝜑 𝑥 = 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥

Inside the box V=0. So the above equation becomes

ђ2 𝑑 2 𝜑 𝑑2 𝜑 2𝑚
− = 𝐸𝜑 or = − 2 𝐸𝜑
2𝑚 𝑑𝑥 2 2
𝑑𝑥 ђ
2𝑚𝐸
Put = 𝑘 2
ђ2
 𝑑2 𝜑 2𝜑
= −𝑘
𝑑𝑥 2
The general solution of this equation is

ψII(x) = F sin kx + G cos kx

where F and G are constants
 Finite Potential Well: Regions I and III
Region I U(x) = U •
The Schrödinger equation for these regions is
ђ2 𝑑 2 𝜑
− 2
𝑥 + 𝑈𝜑 𝑥 = 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥
ђ2 𝑑 2 𝜑
− 2
𝑥 = −𝑈𝜑 𝑥 + 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥
ђ2 𝑑 2 𝜑
2
𝑥 = 𝑈𝜑 𝑥 − 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥
𝑑2 𝜑 2𝑚
2
𝑥 = 2 (𝑈 − 𝐸)𝜑(𝑥)
𝑑𝑥 ђ
 𝑑2 𝜑 2𝑚
2
𝑥 − 2 𝑈−𝐸 𝜑 𝑥 =0
𝑑𝑥 ђ
2𝑚
Put 𝐶2 = 𝑈−𝐸
ђ2

𝑑2 𝜑 2𝜑 𝑥 = 0
𝑥 − 𝐶
𝑑𝑥 2

The general solution of this equation is

ψI(x) = AeCx + Be-Cx
A and B are constants
Region III
The Schrödinger equation for these regions is
ђ2 𝑑2 𝜑
− 2
𝑥 + 𝑈𝜑 𝑥 = 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥

ђ2 𝑑2 𝜑
− 2
𝑥 = −𝑈𝜑 𝑥 + 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥
ђ2 𝑑2 𝜑
2
𝑥 = 𝑈𝜑 𝑥 − 𝐸𝜑(𝑥)
2𝑚 𝑑𝑥
𝑑2 𝜑 2𝑚
2
𝑥 = 2 (𝑈 − 𝐸)𝜑(𝑥)
𝑑𝑥 ђ
 𝑑2 𝜑 2𝑚
2
𝑥 − 2 𝑈−𝐸 𝜑 𝑥 =0
𝑑𝑥 ђ
2𝑚
Put 𝑎2 = 𝑈−𝐸
ђ2

𝑑2 𝜑 2𝜑 𝑥 = 0
𝑥 − 𝑎
𝑑𝑥 2

The general solution of this equation is

ψIII(x) = Ceax + De-ax
C and D are constants
Region I ψI(x) = AeCx + Be-Cx x<0

0<x<L
Region II ψII(x) = F sin kx + G cos kx
x>L
Region III ψIII(x) = Ceax + De-ax
 Finite Potential Well – Regions I and III

Requiring that wavefunction was finite at x → - ∞ and x → ∞,

we can show that
In region I, B = 0, and ψI(x) = AeCx
This is necessary to avoid an infinite value for ψ(x) for large
negative values of x
In region III, C = 0, and ψIII(x) = De-ax
This is necessary to avoid an infinite value for ψ(x) for large
positive values of x
Region I ψI(x) = AeCx x<0

0<x<L
Region II ψII(x) = F sin kx + G cos kx
x>L
Region III ψIII(x) = De-ax
 Finite Potential Well
Graphical Results for ψ (x)
Outside the potential •
well, classical physics
forbids the presence of
the particle
Quantum mechanics •
shows the wave function
decays exponentially to
approach zero
 Finite Potential Well
Graphical Results for Probability Density, | ψ (x) |2

The probability densities •

for the lowest three
states are shown
The functions are •
smooth at the
boundaries
Outside the box, the •
probability to find the
particle decreases
exponentially, but it is
not zero!
 Harmonic Oscillator

A system executing harmonic motion is called a harmonic oscillator.

• Harmonic oscillation is a type of periodic motion in which an object moves
back and forth about an equilibrium position under a restoring force that is
directly proportional to its displacement.

Examples:
Oscillating pendulum,
The motion of a spring,
Spring –mass system
 Harmonic Oscillator

In harmonic motion, the force acting on the system at any instant, is directly
proportional to the displacement. If the displacement of the system from a
fixed point is x, the linear restoring force is –kx.
Where k is constant called force constant.

𝑅𝑒𝑠𝑡𝑜𝑟𝑖𝑛𝑔 𝑓𝑜𝑟𝑐𝑒 ∝ −𝑑𝑖𝑠𝑝𝑙𝑎𝑐𝑒𝑚𝑒𝑛𝑡

𝐹 ∝ −𝑥
𝐹 = −𝑘𝑥
 Differential equation of a harmonic oscillator

Let a particle of mass m be executing harmonic oscillations. The acceleration of

𝑑2 𝑥
the particle at displacement x from a fixed point will be for this particle.
𝑑𝑡 2
𝑅𝑒𝑠𝑡𝑜𝑟𝑖𝑛𝑔 𝑓𝑜𝑟𝑐𝑒 ∝ −𝑑𝑖𝑠𝑝𝑙𝑎𝑐𝑒𝑚𝑒𝑛𝑡
𝐹 ∝ −𝑥
𝐹 = −𝑘𝑥

𝑑2 𝑥
We know 𝐹 = 𝑚𝑎 = 𝑚 ×
𝑑𝑡 2
 𝑑2 𝑥
𝑚 2 = −𝑘𝑥
𝑑𝑡

𝑑2 𝑥 𝑘
2
=− 𝑥
𝑑𝑡 𝑚
𝑑2 𝑥
+ 𝜔2 𝑥 = 0 (1)
𝑑𝑡 2
(this is differential equation)

There are various ways to write the solution to Eq.(1). A common one is

𝑥 = 𝐴𝑐𝑜𝑠(2𝜋𝜗𝑡 + 𝜙)
Where
1 𝑘
Frequency of harmonic oscillator, 𝜗 =
2𝜋 𝑚
𝐴=Amplitude, 𝜙=Phase angle
 Zero-point energy

▪ The lowest value the energy of the oscillator

Thank You…