Bangalore Institute of Technology

(Autonomous Institution affiliated to VTU)

Department of Physics
Study Material for I Year B.E., 2024-25
CSE stream

Course Title: Applied Physics for CSE Stream

Course Code: BPHYS102/202

MODULE-2: Quantum Mechanics

SYLLABUS: de Broglie Hypothesis of matter waves, de Broglie wavelength and
derivation of expression by analogy, Phase velocity and group velocity, relation between
group velocity, phase velocity and particle velocity (no derivation). Heisenberg’s
uncertainty principle and its application (Non-existence of electron inside the nucleus -
Non Relativistic), Wave function, Time independent Schrödinger wave equation
(Derivation), Physical significance of a wave function and Born interpretation, Eigen
functions and Eigen values, Particle in one dimensional infinite potential well,
Quantization of energy states. Numerical Problems

Introduction:
According to classical mechanics, if we know the initial position and momentum of a
particle, we can completely determine it’s the future history. But, the nature of these
quantities (like position, momentum etc.) differs in the atomic realm. So, a new branch of
mechanics is required for understanding the mechanics of atomic and subatomic particles.
The mechanics which explains the nature of quantities in the atomic and subatomic world is
called quantum mechanics.
Quantum mechanics introduced a new approach to understand and to solve problems
involving atoms, molecules and matter in the solid state. Such an approach was developed in
1925 by Schrodinger and others. The discovery of quantum mechanics was nearly a total
surprise and it described the physical world in a way that was fundamentally new.
de-Broglie hypothesis of matter waves:
The phenomena like interference, diffraction and polarization established the wave nature of
radiation and the experiments like Photoelectric effect and Compton effect revealed the
particle nature of radiation. Thus the radiation behaves like waves in some situations and like
particles under some other circumstances. Hence radiation exhibits dual nature.
Louis de Broglie of France in 1924 put forward a bold hypothesis that, if radiation behaves
as particles under certain circumstances and as waves under certain other circumstances, then
one can expect the particles like protons, electrons and neutrons to exhibit wave nature under
suitable circumstances because nature loves symmetry. So, a moving body behaves in certain
ways as though it has a wave nature. The waves are de-Broglie waves or matter waves. The
hypothesis is called de Broglie’s hypothesis. According to de Broglie, for a particle of mass
m is moving with velocity v, wavelength is given by
ℎ ℎ
𝜆= =
𝑝 𝑚𝑣
where h is called Planck’s constant. The wavelength of a matter wave can also be expressed
in terms of kinetic energy E, accelerating potential V, and temperature T as follows.
ℎ ℎ ℎ
𝜆= , 𝜆= , 𝜆=
√2𝑚𝐸 √2𝑚𝑞𝑉 √3𝑚𝑘𝑇
Expression for de Broglie wavelength by analogy
The expression for the wavelength associated with a material particle can be derived on the
analogy of radiation as follows:
Considering Planck’s theory of radiation, the energy of a photon is given by
ℎ𝑐
𝐸 = ℎ𝜈 =
𝜆
where c is the velocity of light in vacuum and 𝜆 is its wavelength.
According to Einstein’s mass energy relation
𝐸 = 𝑚𝑐 2
Comparing the above two equations we get
ℎ𝑐
𝑚𝑐 2 =
𝜆
ℎ𝑐 ℎ
or 𝜆 = 2
or 𝜆 = where mc = p (momentum associated with photon)
𝑚𝑐 𝑚𝑐
If we consider the case of a material particle of mass m and moving with a velocity v. ie
momentum mv, then the wavelength associated with this particle is given by
ℎ ℎ
𝜆= =
𝑚𝑣 𝑃

Characteristics of Matter waves:

1. Matter waves are associated with any material particle in motion.
2. Matter waves are neither mechanical waves nor electromagnetic waves.
 3. The amplitude of matter waves at a particular region and time depends on the
probability of finding the particle at the same region and time.
4. Group velocity (vg) is associated with a matter wave is equal to particle velocity.
5. Phase velocity of a matter wave is greater than speed of light. Hence it does not have
any physical significance.
6. The wave nature does not depend on charge of a material particle.
Phase velocity and Group velocity:
The velocity with which a point representing the phase of wave travels is called wave
velocity or phase velocity (𝑣𝑝ℎ ). It is also defined as the velocity with which a progressive
wave travels in an isotropic medium and is given by
𝜔 𝐸 𝑐2
𝑣𝑝ℎ = = =
𝑘 𝑃 𝑣𝑝𝑎𝑟𝑡𝑖𝑐𝑙𝑒

where 𝑣𝑝𝑎𝑟𝑡𝑖𝑐𝑙𝑒 is particle velocity, which is nothing but the velocity with which particle
moves. 𝜔 is angular frequency, 𝑘 is wave number, E is energy, P is momentum and c is speed
of light.
When two or more waves, having slightly different wavelengths are superimposed on each
other, a wave group is formed. Such a wave group is called a wave packet. The velocity with
d𝜔
which a wave group travels is known as group velocity (𝑣𝑔 ). It is given by 𝑣𝑔 = d𝑘

It can also be shown that 𝑣𝑔 = 𝑣𝑝𝑎𝑟𝑡𝑖𝑐𝑙𝑒

𝑐2
Therefore 𝑣𝑝ℎ =
𝑣𝑔
The envelope of the wave packet shows the region where the particle is likely to be found.
The particle can be located anywhere inside the group at a given time. The narrower the wave
group, the more precisely the particle’s position can be determined.

Heisenberg’s uncertainty Principle:

It is known that the narrower the wave group, the more precisely the particle’s position can
be determined. However, the wavelength of the waves in a narrow wave packet is not well
ℎ
defined. In other words, particle’s momentum is not a precise quantity (because𝜆 = ).
𝑝

Therefore it is impossible to know both the exact position and exact momentum of a particle
at the same time. It means that if we try to measure position of the particle precisely then
there will be error in its momentum and vice versa. Thus there is uncertainty in the
measurements. The uncertainty principle states that
Statement: In the simultaneous determination of the position and momentum of a particle,
there is always some error (uncertainty). The product of corresponding errors inherently
present in the measurement is greater than or equal to (h/4).
If x and p are the errors in the measurement of position and momentum, then
ℎ
Δ𝑥Δ𝑝 ≥
4𝜋

The Heisenberg’s uncertainty principle could also be expressed in terms of energy (E) and
time interval (t) as
ℎ
Δ𝐸Δ𝑡 ≥
4𝜋

and in terms of angular momentum (L) and angular displacement (𝞱) as

ℎ
Δ𝐿Δ𝜃 ≥
4𝜋
Physical significance of Heisenberg’s uncertainty Principle:
The physical significance of the above arguments is that, one should not think of the exact
position, or an accurate value of momentum of a particle. All measurements associated with
particles are just probabilistic. Therefore we should rely only on probabilistic values.
Application of Heisenberg’s Uncertainty Principle:
Non-existence of electrons inside the nucleus (To show that electrons cannot exist inside
the nucleus):
According to Einstein’s special theory of relativity, the energy E of a particle is given by
𝐸 2 = 𝑝2 𝑐 2 + 𝑚02 𝑐 4 = 𝑐 2 (𝑝2 + 𝑚02 𝑐 2 ) − − − − − − − (1)
Where m0 is rest mass of the particle, c is speed of light and P is momentum
According to Heisenberg’s uncertainty principle
ℎ
Δ𝑥Δ𝑝 ≥
4𝜋
ℎ
Δ𝑝 ≥ ---------------------(2)
4𝜋Δ𝑥
We know that the typical value of radius of the nucleus is of the order of 5× 10−15 m. If an
electron is to exist inside the nucleus, then the uncertainty in its position Δ𝑥 must not exceed
this value.
Therefore Δ𝑥 ≤ 5× 10−15 m
ℎ 6.63×10−34
Δ𝑝 ≥ = = 1.1 × 10−20 Ns
4𝜋∆𝑥 4𝜋×5×10−15
Since the momentum of the electron must at least be equal to R
uncertainty in the momentum, we can write
𝑝 ≥ 1.1 × 10−20 Ns ----------------(3)
From equation (3), it is clear that for the electron to exist within
the nucleus, its energy E must be such that
𝐸 2 ≥ 𝑐 2 (𝑝2 + 𝑚02 𝑐 2)
𝐸 2 ≥ (3 × 108 )2 [(1.1 × 10−20 )2 + (9.11 × 10−31 )2 (3 × 108 )2 ]
𝐸 2 ≥ (3 × 108 )2 [1.21 × 10−40 + 7.469 × 10−44 ]
Since the second term in the bracket is less than the first term, it can be neglected. Therefore,
𝐸 ≥ 3.3 × 10−12J
𝐸 ≥ 20 𝑀𝑒𝑉
This means, in order that the electron may exist inside the nucleus, its energy must be greater
than or equal to 20 MeV. But, experiments have revealed that kinetic energy of beta particles
which come from inside the nucleus during the decay is of the order of 3 to 4 MeV. This
clearly indicates that, emitted electrons cannot exist within the nucleus.
Wave function: Waves are generally associated with some periodically varying quantities.
For Ex: In sound waves pressure varies periodically. In an electromagnetic wave both electric
and magnetic fields vary mutually perpendicular to each other. In the similar manner, the
quantity that varies in matter waves is a wave function (𝜓). So, the wave function is
a variable quantity that mathematically describes the wave characteristics of a particle. In
other words, it is a quantity whose variations make up matter waves. The wave function
describing the de-Broglie wave considered to be travelling in the positive x-direction can be
written in complex notation as
𝜓 = 𝐴𝑒 𝑖(𝑘𝑥−𝜔𝑡)
where the symbol 𝜓 is wave function, A is a constant, 𝜔 is angular frequency and 𝑘 is wave
number.

Time independent Schrödinger wave equation:

A progressive wave propagating along x-axis can be represented in the form of 2nd order
differential equation as follows.
𝑑2𝑦 1 𝑑2 𝑦
=
𝑑𝑥 2 𝑣 2 𝑑𝑡 2
Where y is f (x,t).
Similarly a wave equation for a matter wave can be represented as
𝑑2𝜓 1 𝑑2 𝜓
= − − − − − (1)
𝑑𝑥 2 𝑣 2 𝑑𝑡 2
The solution for this equation is
𝜓 = 𝐴𝑒 𝑖(𝑘𝑥−𝜔𝑡) where the symbols have their usual meanings.
𝑑𝜓
= 𝐴𝑒 𝑖(𝑘𝑥−𝜔𝑡) (−𝑖𝜔)
𝑑𝑡
𝑑2𝜓
= 𝐴𝑒 𝑖(𝑘𝑥−𝜔𝑡) (−𝑖𝜔)2 = −𝜔2 𝜓
𝑑𝑡 2
Hence equation (1) becomes
𝑑2𝜓 1
= (−𝜔2 𝜓)
𝑑𝑥 2 𝜔 2
( )
𝑘
𝑑2𝜓 2
−4𝜋 2
= (−𝑘 𝜓) = 𝜓
𝑑𝑥 2 𝜆2
𝑑2𝜓 2
1
= (−4𝜋 𝜓) − − − − − − (2)
𝑑𝑥 2 𝜆2
The total energy of a particle is
E = KE + PE  KE = E – PE
If P is the momentum of the particle and V is its PE then
𝑃2
KE = and
2𝑚
𝑃2
=𝐸−𝑉
2𝑚
ℎ2
𝑃2 = 2𝑚(𝐸 − 𝑉) ⟹ = 2𝑚(𝐸 − 𝑉)
𝜆2
1 2𝑚
= (𝐸 − 𝑉) − − − − − −(3)
𝜆2 ℎ2
Substitute (3) in (2)
𝑑2𝜓 2
2𝑚
= (−4𝜋 𝜓) (𝐸 − 𝑉)
𝑑𝑥 2 ℎ2
𝑑 2 𝜓 8𝜋 2 𝑚
+ (𝐸 − 𝑉)𝜓 = 0
𝑑𝑥 2 ℎ2
This is 1-D time independent Schrodinger wave equation.

Born interpretation and Physical significance of wave function:

The wave function 𝜓 itself does not have direct physical significance, as it is not an
observable quantity. This is because, if 𝜓 is used to find the probability of occurrence of an
event, we may get positive probability or negative probability, but negative probability is
meaningless.
Therefore it is very appropriate to define square of absolute value of the wave function
known as probability density which is represented as|𝜓2 |. A large value of |𝜓2 | means the
strong possibility of the particle’s presence, while a small value of |𝜓2 | means the slight
possibility of the particle’s presence. As long as |𝜓2 | is not zero, there is definitely a chance
of detecting the particle. This interpretation was first made by Max Born in 1926 and hence it
is called Born Interpretation.
The physical significance of wave function is probability density itself. The probability
density is defined as the probability of finding a particle per unit volume and is given by
|𝜓2 | = 𝜓 ∗ 𝜓, where 𝜓 ∗ is the complex conjugate of 𝜓.
Normalization:
If 𝜓 is the wave function associated with a particle, then we have |𝜓2 |𝑑𝑉 as the probability
of finding the particle in a volume 𝑑𝑉. If the particle is definitely present in a particular
region of volume V, then we have
 𝑉
∫ |𝜓2 |𝑑𝑉 = 1
0

The value 1 for probability density indicates certainty. The wave function that obeys the
equation
𝑉
∫ |𝜓2 |𝑑𝑉 = 1
0

is said to be a normalized wave function.

𝑥
Normalization for a particle in 1-dimension is ∫0 |𝜓2 |𝑑𝑥 = 1
And normalization for a particle in space is
∞
∫ |𝜓2 |𝑑𝑥 = 1
−∞

In general, normalization of a wave function is the process of adjusting the wave function, such
that the total integral of the absolute square of the wave function over all space equals one. It
ensures that the total probability of finding a quantum particle anywhere in the universe is one.
NOTE: If the particle does not exist anywhere in the universe, then
∞
∫−∞|𝜓2 |𝑑𝑥 = 0

Properties of wave function (𝜓):

i. 𝜓 must be single valued everywhere.
ii. 𝜓 must be finite everywhere.
iii. 𝜓 must be continuous everywhere.
𝜕𝜓 𝜕𝜓
iv. The first derivatives of 𝜓 with respect to variables (like and ) must be
𝜕𝑥 𝜕𝑡
continuous and single valued everywhere.

The wave functions that obey the above mentioned properties are called eigen functions (well
behaved wave functions). The values of quantities obtained using eigen functions are called
eigen values.

Application of Schrodinger wave equation:

Motion of a particle in one dimensional infinite potential well:
Consider a one dimensional potential well of infinite depth and width a. Let a particle of
mass m be trapped in the well and moving between the two infinitely hard walls in the x-
direction. Let the particle be confined to the region between x = 0 and x = a.
The potential energy V of the particle is zero inside the well and infinity outside. The
boundary conditions are as follows.
i. 𝜓 = 0 and 𝑉 = ∞ outside the well.
ii. 𝜓 ≠ 0 and 𝑉 = 0 for 0 < 𝑥 < 𝑎 (inside the well).
iii. 𝜓 = 0 for 𝑥 ≤ 0 and 𝑥 ≥ 𝑎.

Schrodinger’s time independent wave equation is

𝑑 2 𝜓 8𝜋 2 𝑚
+ (𝐸 − 𝑉)𝜓 = 0 − − − − − − − − − (1)
𝑑𝑥 2 ℎ2
Since V =  everywhere outside the potential well, Schrodinger wave equation becomes
𝑑2𝜓 8𝜋2 𝑚
+ (𝐸 − ∞)𝜓 = 0
𝑑𝑥 2 ℎ2

This equation holds good only if  = 0 and the only possible solution for this equation is
 = 0. Hence, the probability of finding the particle outside the well is zero.
Inside the potential well, V = 0 and hence equation (1) becomes
𝑑2𝜓 8𝜋2 𝑚 𝑑2𝜓 8𝜋2 𝑚
+ (𝐸 − 0)𝜓 = 0 or + 𝐸𝜓 = 0
𝑑𝑥 2 ℎ2 𝑑𝑥 2 ℎ2
8𝜋2 𝑚𝐸
Putting = 𝑘2 − − − − − − − − (2)
ℎ2
We have
𝑑2𝜓
+ 𝑘2𝜓 = 0
𝑑𝑥 2
This is a second order differential equation and its solution is
𝜓 = 𝐶 cos 𝑘𝑥 + 𝐷 sin 𝑘𝑥 − − − − − − − − − (3)
But,  = 0 at x = 0. Therefore from equation (3) we get
C = 0.
Again,  = 0 at x = a. Therefore from equation (3) we get
0 = 0 cos 𝑘𝑎 + 𝐷 sin 𝑘𝑎
𝐷 sin 𝑘𝑎 = 0 ⟹ sin 𝑘𝑎 = 0 (D need not be equal to zero here)
∴ 𝑘𝑎 = 𝑠𝑖𝑛−1 (0) ⟹ 𝑘𝑎 = 𝑛𝜋
𝑛𝜋
∴𝑘= − − − − − − − − (4)
𝑎
Where n = 1,2,3………
From equation (2) and (3) we get
8𝜋 2 𝑚𝐸 𝑛𝜋 2
= ( )
ℎ2 𝑎
𝑛2 ℎ2
𝐸=
8𝑚𝑎2
Or,
𝑛2 ℎ2
𝐸𝑛 =
8𝑚𝑎2
By putting n =1, we get lowest allowed energy called ground state energy. The lowest
allowed energy also known as zero-point energy.
ℎ2
𝐸𝒛𝒆𝒓𝒐−𝒑𝒐𝒊𝒏𝒕 =
8𝑚𝑎2
Substituting for C and k in equation (3) we get
𝑛𝜋
𝜓𝑛 = 𝐷 sin 𝑥 − − − − − − − − − (5)
𝑎

Normalization (To obtain normalised wavefunction):

Since the particle moves along only one axis between the walls from x = 0 to x = a, the
normalisation condition becomes
𝑎
∫ |𝜓2 𝑛 |𝑑𝑥 = 1
0
𝑎
𝑛𝜋 2
∫ (𝐷 sin 𝑥) 𝑑𝑥 = 1
0 𝑎
𝑎
𝑛𝜋𝑥
∫ 𝐷2 𝑠𝑖𝑛2 𝑑𝑥 = 1
0 𝑎
𝐷2 𝑎 2𝑛𝜋𝑥
∫ (1 − 𝑐𝑜𝑠 ) 𝑑𝑥 = 1 because 𝑠𝑖𝑛2 𝜃 = (1 − 𝑐𝑜𝑠2𝜃)/2
2 0 𝑎
𝐷2 𝑎 𝑎
2𝑛𝜋𝑥
[∫ 𝑑𝑥 − ∫ 𝑐𝑜𝑠 𝑑𝑥] = 1
2 0 0 𝑎
𝐷2 𝑎 2𝑛𝜋𝑎
[(𝑎 − 0) − (𝑠𝑖𝑛 − sin 0)] = 1
2 2𝑛𝜋 𝑎
𝐷2 𝑎
[𝑎 − (sin 2𝑛𝜋 − sin 0] = 1
2 2𝑛𝜋
𝐷2 𝑎
[𝑎 − (0 − 0)] = 1
2 2𝑛𝜋
𝐷2
𝑎=1
2

2
𝐷=√
𝑎

Hence equation (5) becomes

𝑛𝜋
𝜓𝑛 = √2/𝑎 sin( )𝑥
𝑎
This is the normalised wave function of a particle in a one-dimensional infinite potential
well.

Eigen functions, energy eigen values and probability densities for a particle in an
infinite potential well:
The eigen function and energy eigen value for a particle present in the nth level of a one-
dimensional potential well of infinite height and width a are given by
𝑛𝜋
𝜓𝑛 = √2/𝑎 sin( )𝑥
𝑎
and
𝑛2 ℎ2
𝐸𝑛 =
8𝑚𝑎2
In order to find the most probable location of the particle and its energy eigen values, we will
consider the following cases.
Case (i):
By substituting n =1 (ground state) in the above expression, we get ground state energy as
ℎ2
𝐸1 = 8𝑚𝑎2 = 𝐸0
𝜋
and the eigen function can be written as 𝜓1 = √2/𝑎 sin(𝑎 )𝑥

(i) Putting x = 0, we get 𝜓1 = 0 and hence |𝜓1 |2 = 0

𝜋
2 ( )𝑎 2
(ii) Putting x = a/2, we get 𝜓1 = √𝑎 sin 𝑎
= √𝑎 and hence |𝜓1 |2 = 2/𝑎
2

(iii) Putting x = a, we get 𝜓1 = 0 and hence |𝜓1 |2 = 0

The plot of |𝜓1 |2 versus x given below shows that the probability of finding the particle is
maximum at the central region of the potential well.

Case (ii):
By substituting n = 2 (first excited state), we get 𝐸2 = 4𝐸0
2𝜋
And the eigen function can be written as 𝜓2 = √2/𝑎 sin( 𝑎 )𝑥

(i) Putting x = 0, we get 𝜓2 = 0 and hence |𝜓2 |2 = 0

2𝜋
2 ( )𝑎 2
(ii) Putting x = a/4, we get 𝜓2 = √𝑎 sin 𝑎
= √𝑎 and hence |𝜓2 |2 = 2/𝑎
4

(iii) Putting x = a/2, we get 𝜓2 = 0 and hence |𝜓2 |2 = 0

2𝜋
2 ( )3𝑎 2
(iv) Putting x = 3a/4, we get 𝜓2 = √𝑎 sin 𝑎
= − √𝑎 and hence |𝜓2 |2 = 2/𝑎
4

(v) Putting x = a, we get 𝜓2 = 0 and hence |𝜓2 |2 = 0

The plot of |𝜓2 |2 versus x shown below indicates that the particle cannot be observed either
at the walls or at the centre.

Case (iii):
By substituting n = 3 (second excited state), we get 𝐸3 = 9𝐸0
3𝜋
and the eigen function can be written as 𝜓3 = √2/𝑎 sin( 𝑎 )𝑥

𝜓3 = 0 for x = 0, x = a/3, x = 2a/3 and x = a, and 𝜓3 will have maximum value for x = a/6,
x = a/2 and x = 5a/6. These facts are shown below. The plot of |𝜓3 |2 versus x shown below
has maxima at x = a/6, x = a/2 and x = 5a/6 which also indicate the locations at which the
particle is most likely to be found.