Engineering Physics 2025

UNIT-IV
Wave Mechanics & Quantum Computation
Matter Waves, de-Broglie Wavelength, Physics Significance of Wave Function,
Schrodinger Time-Independent Wave Equation, Energy of Particle in 1-D Potential Box,
Kronig-Penney Model (Qualitative).
Introduction to Quantum Computing, Idea of Classical Bits and Qubits, Basics of
Quantum Gates (Hadamard, CNOT). Comments on No-Cloning Theorem. Basics Idea of
Quantum Teleportation, Applications of Quantum Computing.

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4. Wave Mechanics
Schrödinger in 1926 stated with de-Broglie relationship between the momentum of a particle and
the wavelength of the associated matter waves and developed in to a rigorous mathematical
theory known as wave mechanics. The essential feature of this theory is the remarkable success
with which it describes the behavior of atomic systems and their interaction with other particles
and electromagnetic radiation.

Matter Waves & De-Broglie wavelength

Matter waves, also known as de Broglie waves, refer to the wave-like nature of particles.
This concept, introduced by Louis de Broglie in 1924, states that every particle, regardless
of size, exhibits both particle-like and wave-like behavior. The wavelength associated with
a particle is given by the de Broglie equation:

h
Where:
• λ is the de Broglie wavelength,
• h his Planck's constant (6.626×10−34 J-s),
• p is the momentum of the particle

This duality is fundamental to quantum mechanics and has been experimentally validated
through phenomena like electron diffraction.

Properties of Matter Waves

1. Wave-Particle Duality:
o Matter waves exhibit both wave-like and particle-like properties. For
example, electrons can create interference patterns like waves but also
exhibit particle characteristics like localized impacts.
2. Wavelength Dependence on Momentum:
o The wavelength of a matter wave is inversely proportional to the
momentum of the particle. Faster or heavier particles have shorter
wavelengths.
3. Universal Nature:
o All particles, from electrons to larger objects, possess matter waves.
However, the wave properties become negligible for macroscopic objects
due to their very short wavelengths.
4. Non-Physical Nature:
o Matter waves do not represent physical waves in a medium. Instead, they
are probability waves, indicating the likelihood of finding a particle in a
specific location.

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5. Experimental Observability:
o The wave nature of matter is significant and observable only for
microscopic particles, such as electrons or atoms. For macroscopic bodies,
the wavelengths are too small to detect.
6. Interference and Diffraction:
o Matter waves can interfere and diffract, forming patterns similar to those
produced by light waves.

Expression for de Broglie Wavelength:

Combining above two equations

𝑐
𝑚𝑐 2 = ℎ𝑣 (𝑏𝑢𝑡 𝑣 = )
𝜆
𝑐
𝑚𝑐 2 = ℎ( )
𝜆
ℎ
𝑚𝑐 =
𝜆
ℎ
𝜆=
𝑚𝑐
ℎ
If particle velocity is normal velocity v then 𝜆 = 𝑚𝑣

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Schrödinger time independent equation

Let us consider a group of waves associated with a moving particle. Let  represent the
displacement of these waves at any time ‘t’. Let us consider that the wave motion be represent
by classical wave equation.

1  2
 =− 2
2
----- (1)
v t 2
Where v is the velocity. The solution of the above equation is given by

 =  o e −it -------- (2)

Differentiate above equation with respect to ‘t’

  2
=  o (−i )e −it And 2 =  o (−i ) 2 e −it = − 2
t t
1
Substitute above value in equation (1) then  2 = 2
−  2
v
2 2 (2 ) 2 4 2
 2 +  =0 But = = 2
v 2
v2 ( ) 2 
4 2
The wave equation is given by  2 +  =0
2
We can substitute the wavelength of the wave accompanying the particle in terms of the
h
particle like property i.e.  = Then
mv

4 2 m 2 v 2
 +
2
 =0
h2
If E and V are the total energy and the potential energy of the particle, respectively, then
1 2
mv = E − V or mv = 2m( E − V )
2

8 2 m
The wave equation is given by   + ( E − V ) = 0 or
2

h2
2m
 2 + ( E − V ) = 0 (Substituting ℎ = 2𝜋ℏ)
2
This equation is known as Schrödinger time independent wave equation.

Physical significance of wave function ( )

The wave function associated with a physical system contains all relevant information about the
system and its future behavior and thus describes it completely. It is natural to assume that the
wave function be large where the particle is most likely to be and small elsewhere.

If  is the amplitude of matter waves at any point in space, then the particle density at that point
may be taken as proportional to  2 . Thus  is a measure of particle density. When this is

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multiplied by the charge of the particle, the charge density is obtained. In this way,  is a measure
of charge density?

According to Max Born   * =  2 gives the probability of finding the particle in the state.  Is
a measure of probability density?

The function  (r, t) is sometimes called probability amplitude of the particle at position r at time
t. The total probability of finding the particle in the region is of course, unity, i.e. the particle is

 dV = 1
2
certainly to be found somewhere in space

Limitation of  :-

1.  must be finite for all values of x,y,z of the region

2.  must be single valued i.e. for each set of values of x,y,z i.e.  must be have one value
only
3.  must be continuous in all region except where potential energy is infinite
4.  is analytical i.e. it possesses continuous first order derivative
5.  Vanishes at the boundaries.

Energy of a particle in one dimensional potential box

Consider a particle (electron) of mass m in an infinitely
deep one dimensional potential well of width L as shown
in figure. We assume that the movement of the particle is
restricted by the sides of the walls and the particle is
moving only in the x direction; when it collides with the
walls, there is no loss of energy of the particle and so the
collisions are perfectly elastic.
The particle is moving freely inside the box so its potential energy is taken as 𝑉(𝑥) = 0
The particle cannot penetrate the infinitely high potential barrier so 𝑉(𝑥) = ∞ outside the
box
Boundary Conditions

1. Since the potential outside the box is infinitely high, the probability of finding
the particle outside must be zero.
Therefore the wave function of the particleψ(x) = 0 at 𝑥 = 0 and 𝑥 = 𝐿
2. Inside the box the wave function is finite.

The motion of the particle in one dimensional well can be described by one dimensional
Schrodinger time independent wave equation
𝜕 2 ψ(x) 2𝑚
+ 2 [𝐸 − 𝑉(𝑥)]ψ(x) = 0
𝜕𝑥 2 ℏ
𝜕 2 ψ(x) 2𝑚𝐸
+ 2 ψ(x) = 0 (since 𝑉(𝑥) = 0 inside the box)
𝜕𝑥 2 ℏ

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2𝑚𝐸 𝜕2 ψ(x)
Let ℏ2
= 𝑘2 𝜕𝑥 2
+ 𝑘 2 ψ(x) = 0

The general solution to above equation is of the form

ψ(x) = 𝐴 sin 𝑘𝑥 + 𝐵 cos 𝑘𝑥
where A, B and k are constants. To evaluate these constants it is necessary to apply

boundary conditions namely ψ(x) = 0 at 𝑥 = 0 and 𝑥 = 𝐿

When ψ(x) = 0 at 𝑥 = 0, we get 0 = 𝐴 sin 0 + 𝐵 cos 0 → 𝐵 = 0
𝑛𝜋
When ψ(x) = 0 at 𝑥 = 𝐿, we get 0 = 𝐴 sin 𝑘𝐿 → 𝑘𝐿 = 𝑛𝜋 → 𝑘 = where
𝐿
n=0,1,2,

2𝑚𝐸 2𝑚𝐸 𝑛2 𝜋 2
But 𝑘 2 = Therefore =
ℏ2 ℏ2 𝐿2

𝑛2 𝜋 2 ℏ2 𝑛 2 𝜋 2 ℎ2 𝒏𝟐 𝒉𝟐
𝑬= = =
2𝑚𝐿2 2𝑚𝐿2 22 𝜋 2 𝟖𝒎𝑳𝟐
In the above equation n=0 is not acceptable because when n=0, ψ(x) = 0 which means the
particle is not present inside the box which is not true. Hence n=1, 2, 3, … and it is called
quantum number.
ℎ2
When n = 1, 𝐸1 =
8𝑚𝐿2
4ℎ2
When n = 2, 𝐸2 = = 4𝐸1
8𝑚𝐿2
9ℎ 2
When n = 3, 𝐸3 = = 9𝐸1 and so on
8𝑚𝐿2

Thus we find that the energy values of the particle are discrete. These energy values are
often referred to eigen values or allowed values. The lowest energy value is called ground
state energy (𝐸1 ). Hence total energy is quantized.

Kronig- Penney Model

In 1930, Kronig and Penney proposed a simpler

potential in the form of an array of square wells as
shown in figure. The schrodinger wave equation for
one dimensional periodic potential field denoted by
𝑑2 𝜓 2𝑚
V(x) can be written as 𝑑𝑥 2 + [𝐸 − 𝑉(𝑥)]𝜓 = 0
ℏ2

where V(x)=V(x+a) -----(1)

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The solutions of this equation have the form 𝜓(𝑥) = 𝑈𝑘 (𝑥)𝑒 𝑖𝑘𝑥 where 𝑈𝑘 (𝑥) = 𝑈𝑘 (𝑥 +
𝑎) -----(2)
In order to simplify the computations, an assumption is made regarding the potential
barrier shown in figure. As V0 increases the width of the barrier w decreases so that the
product V0w remains constant. It turns out that solutions are possible only for energies
𝑃 𝑠𝑖𝑛 𝛼𝑎
given by the relation, cos 𝑘𝑎 = + cos 𝛼𝑎 -----(3)
𝛼𝑎

𝑚𝑎 √2𝑚𝐸
Where 𝑃 = 𝑉𝑜 𝑤 and 𝛼 = (P is referred to as scattering power of the potential
ℏ2 ℏ
barrier)
The left hand side of eq.(3) imposes a limitation on the values that the right side function
can have, namely, a maximum value of +1 and a minimum value of -1. Hence only certain
range of values of 𝛼 are allowed. This means that energy E is restricted to lie within certain
ranges which form the allowed energy bands. This concept is best understood by
considering the plot of the right side of the equation against 𝛼𝑎 as in figure.

Following interesting conclusions can be drawn from the figure

1. Allowed ranges of 𝛼𝑎 which permit a wave mechanical solution to exist are shown by
the shadow portions. The motion of electrons in a periodic lattice is characterized by
the bands of allowed energy bands separated by forbidden regions.
2. As the value of 𝛼𝑎 increases the width of the allowed energy bands also increases and
the width of the forbidden band decreases.
3. If the potential barrier strength P is large, the function described by the right hand side
of the equation crosses +1 and -1 region at a steeper angle. Thus the
allowed bands become narrower and forbidden bands become wider.

4. If 𝑃 → ∞, the allowed band reduces to one single energy level

corresponding to the discrete energy level of an isolated atom.

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5. In the other extreme case, when 𝑃 → 0, no energy levels exist. The

particle is completely free.
Thus by varying P from 0 to ∞ we find that the completely free electron
becomes completely bound.

NUMERICAL PROBLEMS
1. The energy of an electron contained to move in a one-dimensional box of length 4.0 A0 is
9.664 X 10-17 J. Find out the order of excited state. [Jan 2012, 2 marks]
𝑛2 ℎ 2
Solution: The possible energies of a particle in a 1-D box of size L is given by 𝐸𝑛 = 8𝑚𝐿2
𝐸𝑛 8𝑚𝐿2 9.664 X 10−17 × 8 × 9.1 × 10−31 × (4 × 10−10 )2
𝑛2 = = = 256
ℎ2 (6.625 × 10−34 )2
∴ 𝑛 = 16

2. An electron is bound in one-dimensional infinite well of width 1x10-10m. Find the energy
values in the ground state and first two excited states.
𝑛2 ℎ 2
Solution: The possible energies of a particle in a 1-D box of size L is given by 𝐸𝑛 =
8𝑚𝐿2
For ground state n=1,
2
12 ℎ2 (6.625×10−34 )
Energy in the ground state 𝐸1 = 8𝑚𝐿2 = 8×9.1×10−31×(1×10−10)2 = 𝟎. 𝟔𝟎𝟑 × 𝟏𝟎−𝟏𝟕 𝑱𝒐𝒖𝒍𝒆
2
22 ℎ 2 4(6.625×10−34 )
Energy of 1st excited state 𝐸2 = 8𝑚𝐿2 = 8×9.1×10−31×(1×10−10)2 = 𝟐. 𝟒𝟏𝟐 × 𝟏𝟎−𝟏𝟕 𝑱
2
32 ℎ 2 9(6.625×10−34 )
Energy of 2nd excited state 𝐸3 = 8𝑚𝐿2 = 8×9.1×10−31×(1×10−10)2 = 𝟓. 𝟒𝟐𝟖 × 𝟏𝟎−𝟏𝟕 𝑱

3. Calculate the energy difference between the ground state and the first excited
state for an electron in a box of length 1.0A0.
𝑛2 ℎ2
Solution: The possible energies of a particle in a 1-D box of size L is given by 𝐸𝑛 = 8𝑚𝐿2
Energy difference between the ground state and the first excited state is given
2
ℎ2 (6.625×10−34 )
by𝐸2 − 𝐸1 = 8𝑚𝐿2 [22 − 12 ] = 8×9.1×10−31 ×(1×10−10)2 [3] = 1.81 × 10−17 𝐽

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4.2 Quantum Computing

Introduction to quantum computing
Quantum computing is an emerging field at the intersection of quantum mechanics and
computer science, aiming to harness the unique properties of quantum systems to
perform computations that are infeasible for classical computers. Traditional computers
use bits as the smallest unit of data, which can be either 0 or 1. In contrast, quantum
computers use quantum bits, or qubits, which can exist in multiple states simultaneously
due to the principles of superposition and entanglement.

Key Concepts:

1. Qubits: Unlike classical bits, qubits can represent both 0 and 1 at the same time,
thanks to superposition. This allows quantum computers to process a vast amount
of information in parallel.

2. Superposition: A qubit can be in a superposition of states, meaning it can be in a

combination of both 0 and 1. This property is leveraged to explore many possible
solutions simultaneously.

3. Entanglement: Qubits can become entangled, meaning the state of one qubit is
directly related to the state of another, no matter the distance between them.
Entanglement enables highly correlated computations that are more powerful
than those possible with classical bits.

4. Quantum Gates: Quantum computations are performed using quantum gates,

which manipulate qubits through unitary operations. These gates are the building
blocks of quantum circuits, analogous to classical logic gates but with the ability to
operate on superpositions of states.

Idea of classical bits and Qubits

Classical Bits:
In classical computing, the basic unit of information is the bit. A bit can exist in one of two
distinct states: 0 or 1. These states represent binary information and are manipulated
using logical operations in classical computers. Classical bits are fundamental to the digital
world, forming the basis for data storage, processing, and communication.
Qubits:
Qubits, or quantum bits, are the fundamental units of information in quantum computing.
Unlike classical bits, qubits can exist in a superposition of states, allowing them to
represent both 0 and 1 simultaneously. This unique property arises from the principles of
quantum mechanics. There are several key differences and properties of qubits:

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1. Superposition:
A qubit can be in a state |0⟩, |1⟩, or any quantum superposition of these
states, represented as ∣ψ⟩=α∣0⟩+β∣1⟩|ψ⟩ = α|0⟩ + β|1⟩∣ψ⟩=α∣0⟩+β∣1⟩,
where α and β are complex numbers satisfying |α|² + |β|² = 1. This means
a single qubit can perform multiple calculations at once.
2. Entanglement:
Qubits can become entangled, meaning the state of one qubit is directly
related to the state of another, regardless of the distance between them.
This correlation is stronger than any classical correlation and enables
complex, coordinated computations.
3. Quantum Interference:
Quantum algorithms leverage interference to amplify correct solutions and
cancel out incorrect ones, improving the probability of obtaining the right
answer.

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Basics of Quantum Gates: Hadamard and CNOT

Quantum gates are the building blocks of quantum circuits, analogous to classical logic
gates but operating on qubits. Here, we focus on two fundamental quantum gates: the
Hadamard gate (H) and the Controlled-NOT gate (CNOT).

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Comments on No-Cloning Theorem

The no-cloning theorem has profound implications for quantum information science. It
ensures the security of quantum cryptography protocols like quantum key distribution
(QKD) by preventing eavesdroppers from duplicating quantum states without detection.
In quantum communication, it necessitates methods such as quantum teleportation,
which transfers states without cloning them. The theorem also influences quantum
computing by shaping the design of quantum error correction codes that can operate
without relying on state duplication. Additionally, it affects quantum state discrimination,
requiring probabilistic or approximate methods for distinguishing non-orthogonal states,
thus maintaining the integrity of quantum information processing.

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Basic Idea of Quantum Teleportation

Quantum teleportation is a process by which the quantum state of a particle (e.g., an
electron or a photon) is transferred from one location to another, without physically
moving the particle itself. This process exploits the principles of quantum entanglement
and classical communication. Quantum teleportation does not transport matter but
instead transmits the state information of the particle, allowing a distant particle to
assume the same state as the original.

Key Concepts in Quantum Teleportation:

1. Quantum Entanglement:

Entanglement is a quantum phenomenon where two or more particles

become interconnected such that the state of one particle instantaneously
affects the state of the other, regardless of the distance between them. In
quantum teleportation, a pair of entangled particles is shared between the
sender (Alice) and the receiver (Bob).

2. Bell State Measurement:

The process begins with Alice performing a special quantum measurement,

known as a Bell state measurement, on the particle whose state is to be
teleported and her part of the entangled pair. This measurement entangles
the two particles and collapses their combined state into one of the four
Bell states.

3. Classical Communication:

Alice then communicates the result of her Bell state measurement to Bob
using a classical communication channel (e.g., a phone call, email, or any
other conventional means). This step is crucial as it provides Bob with the
necessary information to reconstruct the original quantum state.

4. Quantum State Reconstruction:

Upon receiving Alice's measurement result, Bob applies a corresponding

unitary transformation to his part of the entangled pair. This transformation
depends on the outcome of Alice's measurement and enables Bob to
transform his entangled particle into the state that Alice's original particle
was in, effectively completing the teleportation process.

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Applications of Quantum Computing

Quantum computing holds the potential to revolutionize various fields by solving complex
problems more efficiently than classical computers. Here are some key applications of
quantum computing:

1. Cryptography

Quantum computing promises to significantly impact cryptography, both positively and

negatively:

• Quantum Key Distribution (QKD): Enables secure communication through

protocols like BB84, leveraging the principles of quantum mechanics to ensure
unbreakable encryption.
• Breaking Classical Cryptography: Quantum algorithms, such as Shor's algorithm,
can factor large numbers exponentially faster than classical algorithms, potentially
breaking widely used encryption schemes like RSA.

2. Drug Discovery and Molecular Modeling

Quantum computing can simulate molecular and chemical reactions with high precision,
which is crucial for:

• Drug Discovery: Accelerates the identification of new drugs by simulating

interactions at the quantum level, potentially reducing the time and cost of
bringing new drugs to market.
• Material Science: Helps in designing new materials with specific properties by
accurately modeling atomic interactions.

3. Optimization Problems

Many real-world problems involve optimizing a set of parameters, and quantum

computing can provide solutions more efficiently:

• Logistics: Optimizes routes and supply chain management for better efficiency and
cost savings.
• Financial Modeling: Enhances portfolio optimization, risk assessment, and option
pricing through faster and more accurate computations.

4. Machine Learning and Artificial Intelligence

Quantum computing can accelerate machine learning algorithms and provide new
capabilities:

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• Quantum Machine Learning: Algorithms like Quantum Support Vector Machines

(QSVM) and Quantum Neural Networks (QNN) can process and analyze data faster
and more accurately.
• Pattern Recognition: Improves the ability to recognize patterns and make
predictions in large datasets.

5. Climate Modeling and Weather Forecasting

Quantum computers can handle complex simulations of weather and climate patterns,
leading to:

• Improved Weather Forecasting: More accurate and timely predictions of weather

events.
• Climate Change Models: Better understanding and prediction of climate change
impacts and the effectiveness of mitigation strategies.

6. Quantum Simulation

Simulating quantum systems is inherently complex for classical computers, but quantum
computers can do this naturally:

• Fundamental Physics: Enables the simulation of quantum systems to understand

fundamental physical processes.
• Condensed Matter Physics: Helps in studying and discovering new states of matter.

7. Cryptanalysis

Quantum computing can revolutionize the field of cryptanalysis:

• Breaking Classical Codes: As mentioned earlier, Shor's algorithm can decrypt

classical cryptographic systems.
• Developing Quantum-Safe Cryptography: Drives the need for new cryptographic
techniques that are secure against quantum attacks.

8. Data Search and Database Management

Quantum algorithms like Grover's algorithm provide a quadratic speedup for searching
unsorted databases:

• Faster Database Searches: Significantly reduces the time required to search large
databases.
• Efficient Data Management: Improves the management and retrieval of data in
large-scale systems.

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9. Computational Biology

Quantum computing can enhance the field of computational biology through:

• Genomic Analysis: Faster and more precise analysis of genetic data for
personalized medicine.
• Protein Folding: Better understanding of protein structures and functions, which
is essential for drug development.

10. Cybersecurity

Quantum computing will play a dual role in cybersecurity:

• Enhanced Security: Development of new quantum-resistant encryption methods.

• Threats to Current Systems: Quantum computers pose a threat to current
encryption methods, necessitating the transition to quantum-safe cryptography.

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