Unit I

QUANTUM MECHANICS

1.0 Quantum Mechanics: -

It is the branch of physics which explains about the motion of microscopic particles like
electrons, protons etc. It was introduced by Max Planck in 1900.

1.1 Historical Background of Quantum Mechanics

a) Classical Physics Limitations (late 19th century):
o Newtonian mechanics and Maxwell’s electromagnetism explained most natural
phenomena.
o However, they failed for microscopic phenomena such as blackbody radiation, the
photoelectric effect, and atomic spectra.
b) Birth of Quantum Ideas:
o 1900 – Max Planck introduced the idea of energy quantization to explain blackbody
radiation.
o 1905 – Albert Einstein explained the photoelectric effect using light quanta (photons).
o 1913 – Niels Bohr proposed a quantized model of the hydrogen atom.
c) Development of Quantum Mechanics (1920s):
o Werner Heisenberg developed matrix mechanics (1925).
o Erwin Schrödinger introduced wave mechanics (1926).
o Max Born gave the probabilistic interpretation of the wave function.
d) Uncertainty & Complementarity:
o Heisenberg (1927): Uncertainty Principle.
o Bohr: Complementarity principle (wave–particle duality).
e) Modern Quantum Theory:
o Unified formalism developed by Dirac, von Neumann, and others.
o Basis for quantum field theory, particle physics, semiconductors, lasers, and quantum
computing today.
1.1.1 Motivation of Quantum Mechanics
Quantum mechanics was developed because classical physics could not explain many
experimental observations in the microscopic world. Here are the main motivations:

a). Blackbody Radiation Problem

• Classical theory (Rayleigh–Jeans law) predicted that a hot body should emit infinite energy at
short wavelengths (the ultraviolet catastrophe).
• Max Planck (1900) solved this by assuming that energy is emitted/absorbed in discrete packets
called quanta
• This was the first step toward quantum theory.
b). Photoelectric Effect
• When light shines on a metal surface, electrons are ejected.
• Classical wave theory predicted that increasing intensity should increase electron energy.
• Experiments showed that electron energy depends on light frequency, not intensity.
• Einstein (1905) explained this using photons (particles of light) → strong motivation for
quantization.

c). Atomic Spectra

• Atoms emit/absorb light at discrete wavelengths (line spectra), not continuous as classical theory
suggested.
• Bohr’s model (1913): electrons move in quantized orbits around the nucleus, explaining
hydrogen’s spectrum.
• This showed that energy levels are discrete, not continuous.

d). Stability of Atoms

• Classical electrodynamics predicted that orbiting electrons should continuously radiate energy and
spiral into the nucleus.
• In reality, atoms are stable.
• Quantum theory explained stability through quantized states.

e). Wave–Particle Duality

• Experiments like electron diffraction (Davisson–Germer experiment, 1927) showed that matter
has both wave and particle properties.

f). Uncertainty & Probabilistic Nature

• Classical physics assumed exact determinism.
• Heisenberg’s Uncertainty Principle (1927): You cannot simultaneously know a particle’s exact
position and momentum.
• Motivated a new framework based on probability and operators.

1.2 Waves & particles:

With the introduction of the quantum theory, one had to admit a dual nature for radiant energy
namely, wave and particle. A similar situation arose in 1924, when the French physicist Louis de
Broglie put forward the bold suggestion that matter, like radiation, has dual nature i.e., matter
might exhibit wave like properties under appropriate conditions.

Louis de Broglie attempted to develop a theory of radiation in terms of light quanta or photons.
He was led to the new conception of matter waves by the following considerations:

i) Since radiation has been shown to possess dual nature, wave and particle, matter must also
possess dual nature.

ii) Radiation is supplemented with particle characteristics to explain certain optical phenomena,
such as photoelectric effect. On similar lines material particles have to be supplemented with a
wave aspect for a full understanding of their behaviour.

iii) According to Bohr, the stable states of electrons in the atom were governed by 'integer' rules.
 In an atom electrons of the permitted orbits have the angular momentum integer multiples of
h/2π. In physics, interference and modes of vibration of stretched strings involve integers. Both
of them imply wave motion. Hence electrons in stable orbits must also be supplemented with
wave aspect.

Based on the above concepts, de Broglie made a bold suggestion in his doctorate thesis and
presented the new idea of matter waves. For this he was honored with the award of the Nobel
Prize in 1929. In his thesis he claimed that there should be intimate connection between waves
and corpuscles not only in the case of radiation but also in the case of matter. To study the path
of a beam of radiation, we use the wave theory, while to calculate the amount of energy of the
same beam we use the quantum theory i.e., we adopt the concept of photon. In a similar manner,
electrons observed as a particle while we calculate the mass, charge and energy must be treated
as a wave when we find the path of the electrons. When electrons are reflected by an object, we
must treat them as though they were a beam of waves.

Wave: - A wave is nothing but spreading of disturbance in a medium. The

characteristics/properties of waves are 1) Amplitude 2) Time period 3) Frequency 4) Wave-
length 5) Phase 6) Intensity.
Particle: - A particle is a point in space which has mass & occupies space or region.
The characteristics/properties of a particle are 1) Mass 2) velocity 3) Momentum 4) Energy
etc.
Matter Waves or de-broglie-waves: The waves associated with a material particle are called
as matter waves.

De-broglie concept of dual nature of matter waves:-

In 1924 ,Louis de-broglie suggested that matter waves also exhibit dual nature like
radiation(light). They are
I. Wave nature
II. Particle nature
Wave nature of matter waves is verified by Davisson & Germer experiment, [Link]
experiment etc.
Particle nature of matter waves is verified by photo-electric effect, Compton Effect etc.

De-Broglie hypothesis:-

1) The universe consists of matter and radiation (light) only.

2) Matter waves also exhibit dual nature like radiation.

3) The waves associated with the material particles are called as debroglie-waves or matter
waves & the wave length associated with matter waves are called as de-Broglie wave-length or matter
wave-length (λ).
4) De-Broglie wave-length is given by 𝜆 = h/p

Expression for de-Broglie wave-length (λ) in various form:-

According to Planck's theory, Energy of a photon (Light Particle) is given by
ℎ𝑐 𝑐
E = hν = …………….(1) (since, ν = )
λ λ

Where h is Planck’s constant

 ν is frequency of light (Photon)

According to Einstein’s Mass-Energy Relation

E = mc2 ……………..(2)

Where m is Mass of photon

c is velocity of light (Photon)

From equations (1) and (2)
ℎ𝑐
mc2 =
λ
ℎ ℎ
Therefore, λ= = ………………(3)
mc p

Where h is Planck’s constant

m is mass of photon

c is velocity of light
According to the De Broglie theory,

p = mv
Where p is momentum of electron
m is mass of electron

v is velocity of electron
From equation (3),
ℎ ℎ
λ= =
p mv

Therefore,

ℎ ℎ ℎ
𝜆= = = ……………(4)
𝑚𝐶 𝑚𝑣 𝑃
The above equation (4) represents the De-Broglie wavelength

Other forms of de-broglie wavelength(λ):-

(i) In terms of Energy (E)
We know that the kinetic energy of a particle is:
E = ½ mv² ...(5)
Multiplying Eq. (5) by m on both sides:
mE = ½ m²v²
2mE = m²v²
mv = √(2mE)
 The de-Broglie wavelength is:
λ = h / mv
Therefore,
λ = h / √(2mE) ...(6)

(ii) De-Broglie Wavelength in terms of Voltage (V)

If a charged particle is accelerated through a potential difference V,
the kinetic energy of the particle is given by:
E = eV ...(7)
But kinetic energy is also:
E = ½ mv²
Equating:
eV = ½ mv²
2eV = mv²
Multiplying both sides by m:
2meV = m²v²
mv = √(2meV)
Since λ = h / mv,
λ = h / √(2meV)
For electrons, this reduces to:
λ = 12.27 Å / √V
Constants used:
h = 6.625 × 10⁻³⁴ Js
mₑ = 9.1 × 10⁻³¹ kg
e = 1.6 × 10⁻¹⁹ C
(iii) De-Broglie Wavelength in terms of Temperature (T)
According to the kinetic theory of gases, the average kinetic energy
of a particle at temperature T is:
E = (3/2) kB T
Substituting in λ = h / √(2mE):
λ = h / √(2m × (3/2)kB T)
λ = h / √(3mkB T)
Where kB is the Boltzmann constant.

Properties or characteristics of matter waves or de-broglie waves

• Lesser the mass of the particle, greater is the wavelength associated with it.
• Smaller the velocity of the particle, longer is the wav-length associated with the
particle.
• When V = 0, 𝜆 = ∞ & 𝑉 = ∞, 𝜆 = 0.
• Matter waves produced when the particles in motion are charged or uncharged.
• Matter wave are not electro-magnetic waves.
1.3 Characteristics of Matter Waves
Since λ = h / mv,
1. Lighter the particle, greater is the wavelength associated with it.
2. Lesser the velocity of the particle, longer the wavelength associated with it.
3. For v = 0, λ = ∞. This means that only with moving particle matter wave is associated.

4. Whether the particle is charged or not, matter wave is associated with it. This reveals that these waves are not
electromagnetic but a new kind of waves.
5. It can be proved that the matter waves travel faster than light.

We know that E = hν and E = mc²

∴ hν = mc² or ν = mc² / h

The wave velocity (ω) is given by

ω = νλ = (mc² / h) × λ

Substituting for λ we get

ω = (mc² / h) × (h / mv)
i.e. ω = c² / v (7)

As the particle velocity v cannot exceed velocity of light c, ω is greater than velocity of light.
6. No single phenomena exhibits both particle nature and wave nature simultaneously.
7. While position of a particle is confined to a particular location at any time, the matter wave associated with it has
some spread as it is a wave. Thus, the wave nature of matter introduces an uncertainty in the location of the position of
the particle. Heisenberg’s uncertainty principle is based on this concept.

1.4 Experimental Verification of matter waves:-

Here, we have two methods to verify the dual nature of matter waves. They are
1. Davisson and Germer’s experiment
2. G.P. Thomson’s experiment

1. Davisson and Germer’s experiment:-

First practical evidence for the wave nature of matter waves was given by [Link] and
L.H. Germer in 1927. This was the first experimental support to debroglie’s hypothesis.

Principle: The e’s which are coming from the source are incident on the target and the e’s get diffracted.
These diffracted e’s produce a diffraction pattern. It shows (explains) the wave nature of matter waves.
Experimental Arrangement:-

Construction:
The experimental setup is shown in above figure. It consists of mainly 3-parts
(i) Filament
(ii) Target
(iii) Circular scale arrangement.

It also consists of a low-tension battery (LTB), High tension battery (HTB) & a cylinder (A).
In their experimental arrangement (in 1927) for electron diffraction, Davisson and Germer
accelerated the electrons from a hot tungsten filament F by maintaining a steady potential
difference between F and the plate P (Fig. 1). The electrons emerge through a fine opening O
in the plate and fall normally on the surface of a nickel crystal N. Using a Faraday cylinder C
as collector, the intensity of scattered electrons is measured in all directions. The collector C is
capable of rotation about an axis passing through the point of incidence of the electrons on the
crystal N. Thus the intensity of the scattered beam can be determined as a function of the
scattering angle. The collector has two walls which are insulated from each other. A retarding
potential is maintained between them so that only fast-moving electrons coming from the
electron gun may enter inside it. The secondary electrons, if any, generated at the surface of
nickel are stopped by the retarding potential. Thus the galvanometer connected to Faraday
cylinder C shows deflection due to electrons from the electron gun only.

Working:
When tungsten filament ‘F’ is heated by a LTB then e’s are produced. These e’s are accelerated
by High voltage (HTB). The accelerated e’s are collimated into a fine beam of pencil by
passing them through a system of pin-holes in the cylinder ’A’. This beam of electrons is
allowed to incident on nickel crystal which acts as target. Then e’s are scattered in all the
directions. The intensity of scattered e’s is measured by the circular scale arrangement. In this
arrangement, an electron or movable collector (Double walled faraday cylinder) is fixed to
circular scale which can collect the electrons and can move along the circular scale. The
electron collector (Double walled faraday cylinder) is connected to a sensitive galvanometer
to measure the intensity of electron beam entering the collector at different scattering angles
(∅).

The Faraday cylinder was moved over the circular scale and for a given accelerating voltage
V, the scattering curve was drawn. For an electron accelerated by 54 volts applied, and electron
 beam incident normal to the crystal surface, the pronounced scattering direction was found to
be 50° (Fig. 2(a)). Under this condition, as shown in Fig. 2(b), the surface rows of atoms act
like the rulings of a diffraction grating, producing the first order spectrum of 54 volts electrons
at θ = 50°.
A graph is plotted between the scattering angle (∅) and the number of scattered
electron’s as shown in above figure.

The intensity of scattered e’s is maximum at ∅ = 50° & accelerating voltage =54V.

Calculation of wave-length associated with e’s:

2dsin 𝜃 = 𝑛𝜆---(1)
For nickel crystal, d = 0. 909𝐴° = 0.909 × 10−10m
n = 1, First order

(i) Angle of diffraction(𝜽)(𝐏𝐫𝐚𝐜𝐭𝐢𝐜𝐚𝐥 𝐯𝐚𝐥𝐮𝐞):

From the the figure,
180° = 𝜃 + 𝜃 + 50°
180° = 2𝜃 + 50°
∴ Diffraction angle ((𝜃) = 65° ----- (2)
Substituting the above values in eq − 1 we get
2× 0.909 × 𝑆𝑖𝑛65° = 1×𝜆
𝜆 = 1.65𝐴°-----(3)
(𝐢𝐢) From de- broglie wave length (𝝀):
λ = 12.27 A°
√V
But V = 54v
12.27
λ= A° = 1.67A°
√54
λ = 1.67A° ----- (4)

From eq-(3) & eq-(4) it was been proved both the practical & theoretical wavelengths are almost equal.
Hence the wave nature of particle is proved experimentally.

1.5 Heisenberg’s Uncertainty principle.

Physical quantities like position, momentum, time, energy etc. can be measured accurately in
macroscopic systems (i.e. classical mechanics). However, in the case of microscopic systems, the
measurement of physical quantities for particles like electrons, protons, neutrons, photons etc are
not accurate. If the measurement of one is certain and that of other will be uncertain.

A wave packet that represents and symbolizes all about the particle and moves with a group
velocity describes a de Broglie wave. According to Bohr’s probability interpretation, the particle
may be found anywhere within the wave-packet. This implies that the position of the particle is
uncertain within the limits of the wave packet. As the wave packet has a velocity spread, there is an
uncertainty about the momentum of the particle.
Thus according to uncertainty principle states that the position and the momentum of
a particle in an atomic system cannot be determined simultaneously and accurately.
If Δx is the uncertainty associated with the position of a particle and Δpx the
uncertainty associated with its momentum, then the product of these uncertainties will always be
equal or greater than h/4π.
As a direct consequence of the dual nature of matter, in 1927, Heisenberg proposed a
very interesting principle known as the uncertainty principle. If a particle is moving, based on
classical mechanics, at any instant we can find its position and momentum. In wave mechanics, we
regard a moving particle as a wave group. The particle that corresponds to this wave group may be
located anywhere within the group at any given time. Of course, in the middle of the group, the
probability of finding the particle is more but the probability of finding the particle at any other
point inside the wave group is not zero. Narrower the wave group (as in Fig. 4a) higher will be the
accuracy of locating the particle. At the same time, one cannot define the wavelength λ of the wave
accurately when the wave group is narrower.

Since λ = h / mv, measurement of particle’s momentum (mv = h / λ) also becomes

less accurate. On the other hand, when we consider a wide wave group, wavelength λ can be well
defined and hence measurement of momentum becomes more accurate. At the same time, since the
width of the wave group is large, locating the position of the particle becomes less accurate. Thus
we have the uncertainty principle.

“It is impossible to know both the exact position and exact momentum of an object at
the same time.”
If Δx and Δp are the uncertainties in the position and momentum measurements then,
according to the uncertainty principle,
Δx Δp ≥ h / 4π (8)
Thus the uncertainty principle is a direct consequence of the wave nature of particles.
Another form of the uncertainty concerns energy and time. In an atomic process, let energy E be
emitted during the time interval Δt. If the energy is emitted in the form of e.m. waves, we cannot
measure the frequency ν of the waves accurately in the limited time available. Let the minimum
uncertainty in the number of waves that we count in a wave group be one wave.
Since frequency = number of waves / time interval

Δν ≥ 1 / Δt

Hence the corresponding uncertainty in energy ΔE is

ΔE = hΔν
and so ΔE ≥ h / Δt
or ΔEΔt ≥ h

A more precise calculation based on the nature of wave groups modifies this result to

ΔEΔt ≥ h / 4π (9)
 This gives uncertainty in the measurement of energy and time of a process.

Thus the more generalized statement of Heisenberg’s uncertainty principle is:

“It is impossible to specify precisely and simultaneously the values of both members of a
particular pair of physical variables that describe the behavior of an atomic system.”

Different forms of uncertainty principle ie

Δx Δpx ≥ h/4π
ΔE Δt ≥ h/4π
Δω Δθ ≥ h/4π

1.6 Nonexistence of electrons in nucleus:

We know that the radius of atom is of the order of 10−14m. Thus, if an electron exists inside
the nucleus then the maximum uncertainty in its position is given by
(∆𝑥)𝑚𝑎𝑥 = 2 × 10−14m
Using the uncertainty relation ∆𝑥. ∆𝑝 = ℏ

The maximum uncertainty in the moment of electron is given by

1.055 × 10−34
(∆𝑝)𝑚𝑖𝑛 = ℏ⁄ =
(∆𝑥) 𝑚𝑎𝑥 2 × 10−14 = 5.278 × 10−21 𝑘𝑔 − 𝑚/𝑠

Since the minimum uncertainty in the momentum of electron should be equals to its
momentum, i.e.,
𝑝 = (∆𝑝) = 5.278 × 10−21 𝑘𝑔 − 𝑚/𝑠
The corresponding energy of the electron is given by

E=p2/2m= (5.278∗10−21 ) /2∗9.1∗10−31∗1.6∗10−19eV = 97MeV

2

Thus, if an electron exists inside the nucleus, then its energy should be of the order of 97MeV.
But experiments shows that no electrons in the atom possess K.E greater than 4 Mev.
Hence no electrons can exist in inside the nucleus.

1.7 Physical significance of wave function

The wave function 𝛙 enables all possible information about the particle. 𝛙 is a complex quantity and has
no direct physical meaning. It is only a mathematical tool in order to represent the variable physical
quantities in quantum mechanics.

• Born suggested that, the value of wave function associated with a moving particle at the position co-
ordinates (x, y, z) in space, and at the time instant ‘t’ is related in finding the particle at certain location
and certain period of time ‘t’.

• If 𝛙 represents the probability of finding the particle, then it can have two cases. Case 1: certainty of its
Presence: +ve probability Case 2: certainty of its absence: - ve probability, but –ve probability is
meaningless, Hence the wave function 𝛙 is complex number and is of the form a+ib

• Even though 𝛙 has no physical meaning, the square of its absolute magnitude |𝛙2 | gives a definite
 meaning and is obtained by multiplying the complex number with its complex conjugate then |𝛙2 |
represents the probability density ‘p’ of locating the particle at a place at a given instant of time. And has
real and positive solutions.

𝛙 (𝐱, 𝐲, 𝐳,𝐭) = 𝐚 + 𝐢𝐛 𝛙∗ (𝐱, 𝐲, 𝐳,𝐭) = 𝐚 − 𝐢𝐛

𝐩 = 𝛙𝛙∗ = |𝛙2 | = 𝑎 2 + 𝑏 2 𝑎𝑠 𝑖 2 = −1

Where ‘P’ is called the probability density of the wave function.

• If the particle is moving in a volume ‘V’, then the probability of finding the particle in a volume
element dv, surrounding the point x,y,z and at instant ‘t’ is

Pdv ∫|𝛙2 |𝑑𝑣 = 1

This is called normalization condition.

1.8 Schrödinger Wave Equation (Qualitative): Basic form and conceptual understanding
Schrödinger Time-Dependent Wave Equation
The time-dependent form describes how the wave function changes with time
iħ ∂Ψ/∂t = ĤΨ
Where, ħ = h/2π (reduced Planck’s constant)
Ĥ = Hamiltonian operator = (−ħ²/2m)∇² + V(x, t)
Ψ = wave function of the system
or equivalently,
(-ħ² / 2m) (d²Ψ/dx²) + V(x, t)Ψ = iħ ∂Ψ/∂t
Where, ħ = h/2π (reduced Planck’s constant)
Ψ = wave function of the system and V(x, t) is the potential energy
Schrödinger Time-Independent Wave Equation
For systems where the potential energy does not depend on time, the equation simplifies to
ĤΨ = EΨ
or equivalently,
(-ħ² / 2m) (d²Ψ/dx²) + V(x)Ψ = EΨ
Here, E = total energy of the particle
V(x) = potential energy
Ψ = wave function
Meaning and Importance
➢ The Schrödinger equation provides a complete description of the behaviour of a quantum system.
➢ It allows us to calculate possible energy levels and probability distributions of particles.
➢ Unlike classical mechanics, it does not give a definite path but predicts the probability of finding a
particle in a given region.
 ➢ This equation is the foundation for understanding phenomena like atomic structure, chemical bonding,
quantum tunneling, and semiconductor behaviour.

1.9 Postulates of Quantum Mechanics

Postulate 1: State of a Quantum System
A physical system is completely described by a wave function ψ (psi), which contains all the information about
the system. The wave function must be single-valued, finite, continuous, and normalizable.
The wave function is represented by Ψ(x, t)
Where, Ψ is the wave function
x is position
t is time
Example: Ψ(x, y, z, t) = f(x, y, z) g(t)
f(x, y, z) - Position wave function, calculated or solved by Schrodinger time-independent wave equation
g(t) - Time wave function, calculated or solved by Schrodinger time-dependent wave equation
Postulate 2: Probability Interpretation
The probability of finding a particle in a small volume element is proportional to |ψ|². The total probability of
finding the particle somewhere in space must be equal to 1.
∫-∞∞ 𝜓2 (𝑥,t) 𝑑𝑥 = ∫∞∞ 𝜓∗(x,t).ψ(x,t) dx =1
When Ψ(x, t) satisfies the above requirement, it is said to be normalized.
Since [Ψ*(x,t) ⋅ Ψ(x,t)] is the probability density, the wave function Ψ(x,t) must satisfy the following
conditions:
I. It must be single-valued.
II. It must be continuous.
III. It must be finite everywhere.

A function meeting these requirements is said to be a well-behaved or normalized wave function.

Postulate 3: Observables and Operators
In Classical Mechanics any physics property of the system has operator. Similarly, there are operators in
Quantum mechanics which describes state of the system.
Every measurable physical quantity (observable), there corresponds a linear Hermitian operator.
Examples include position, momentum, kinetic energy, potential energy, and total energy.
[Link] Observable Name Observable Operator Operation
Symbol Symbol
1 Position r r̂ Multiply by r
2 Momentum P p̂ −iħ (∂/∂x î + ∂/∂y ĵ + ∂/∂z k̂)

3 Kinetic Energy T T̂ −ħ²/2m (∂²/∂x² + ∂²/∂y² + ∂²/∂z²)

 4 Potential Energy V(r) V̂(r) Multiply by V(r)

5 Total Energy E Ĥ −ħ²/2m (∂²/∂x² + ∂²/∂y² + ∂²/∂z²)

+ V(r)

6 Angular Momentum (l) lₓ, lᵧ, l_z l̂ₓ, l̂ᵧ, l̂_z l̂ₓ = −iħ(y∂/∂z − z∂/∂y)
l̂ᵧ = −iħ(z∂/∂x − x∂/∂z)
l̂_z = −iħ(x∂/∂y − y∂/∂x)

Postulate 4: Measurement and Eigenvalues

When we apply  on a function then result of the same function will be obtained with constant value
Âψ=aψ
Where, Â is the operator corresponding to the observable
ψ is the eigenfunction
a is the eigenvalue.
When an observable (Eigen Function) is measured, the only possible result is one of the eigenvalues of the
corresponding operator. After measurement, the system collapses into the eigenstate associated with that
eigenvalue.
Postulate 5: Expectation Value
The expectation value (or) average value of an observable A is given by
∫ψ*Mψdτ
M=<M> = ∫ψ*Mdτ

where M is the observable

Postulate 6: Time Evolution of the System
Since all wave functions are time-dependent, i.e., Ψ(x, y, z, t), their subsequent behaviour is described by the
time–dependent Schrödinger equation. The time evolution of a quantum system is governed by the time-
dependent Schrödinger equation
That is given by,
iħ ∂Ψ/∂t = ĤΨ
Ĥ = Hamiltonian operator = (−ħ²/2m)∇² + V(x, t)
(or) equivalently,
(-ħ² / 2m) (d²Ψ/dx²) + V(x, t)Ψ = iħ ∂Ψ/∂t
 Unit III

Introduction to quantum computing

3.1. Introduction
Quantum computing is an advanced form of computation that uses the laws of quantum mechanics
to process information. Unlike classical computers that use bits (0 or 1), quantum computers use
qubits, which can exist as 0, 1, or both at the same time due to a property called superposition. The
unique features like superposition, entanglement, and interference allow quantum computers to
perform many calculations simultaneously and exponentially faster.
3.2. Motivation and historical development of quantum computers
3.2.1. Key motivations
The fundamental laws of quantum mechanics (superposition, entanglement, and interference)
provide the quantum computers the potential to solve certain problems much faster than classical
computers (see Figure 3.1.).
For example:
• Factorization of large integers: Classical computers take years to factor very large
numbers, but Shor’s algorithm can do it efficiently. It is used in cryptography.
• Optimization and search: Grover’s algorithm can search through unsorted databases
faster than any classical method.
• Simulation of quantum systems: Quantum computers can naturally simulate atoms,
molecules, and materials. It is useful in chemistry, drug discovery, and materials science.
Thus, quantum computing bridges physics and computation, offering powerful new ways
to solve problems that are beyond the reach of today’s classical computers.

Figure 3.1. Example problems and applications of quantum computing.

3.2.2. Brief history of quantum computing
The key milestones are mentioned in the section of brief history of quantum computing as follows.
i). Theoretical foundations (1900-1980)

The foundational quantum mechanics was developed by

Planck, Einstein, Schrodinger, Heisenberg, Dirac etc. The
key concepts, superposition, entanglement, and interference,
were established.

ii) The emergence of quantum computing (1980)

Richard Feynman suggested that classical computers cannot efficiently
simulate quantum systems. He proposed that quantum systems could be
simulated more efficiently using a computer that operates on quantum
principles.

iii) Theoretical foundation of quantum computer (1985)

David Deutsch introduced the concept of a universal quantum computer,

capable of performing any computation using quantum principles.

iv) Quantum algorithms (1994-1996)

Peter Shor (1994) developed Shor’s algorithm for factoring large

numbers exponentially faster than classical algorithms which shows
the real power of the quantum computation.
 Lov Grover (1996) developed Grover’s algorithm, which speeds up
searching through unsorted data.

v) Build commercial quantum computers (2000-2020)

Small-scale quantum processors have been started to build using trapped ions, superconducting
circuits, and photons by IBM, D-wave, Google, IonQ, Rigetti etc.

D-wave (2011) released first commercial quantum

annealer.

Google (2019) claimed “quantum supremacy” with

53-qubit Sycamore processor.

vi) Quantum era begins

Companies like IBM, Google, IonQ, and Rigetti are

investing to develop error correction, quantum cloud
computing, and hybrid quantum-classical systems.

3.3. What is computing?

Computing is the systematic process of receiving data as input, performing a series of logical or
arithmetic operations to process that data, and generating meaningful output using a computational
system which has both hardware and software systems (see Figures 3.2. and 3.3.). Computing is
capable of addressing a broad range of problems: from basic arithmetic operations to highly
complex tasks that rely on advanced algorithms. Over time, the field has undergone remarkable
evolution, leading to the development of diverse paradigms that shape modern technology. Among
these, classical computing and quantum computing stand out as two major approaches, each
distinguished by its unique principles and computational power.

Figure 3.2. Schematic of classical computing.

Figure 3.3. Schematic of quantum computing.

3.3.1. Classical computing
Classical computing, also known as traditional computing, is the foundation of the digital world
we interact with on a daily basis (see Figure 3.4.). It operates on the principles of classical physics
such as Newton’s laws, Maxwell equations, circuit theory, Ohms law, and Kirchchoff’s laws. It
uses bits 0,1 as its fundamental unit of information. A bit (short for binary digit) can exist in one
of two states: 0 or 1. Classical computers process information by using logical operations to
perform calculations, execute algorithms, and run software applications. The architecture of
classical computers is built around a central processing unit (CPU), memory units, and input/output
devices. Instructions are executed sequentially, one after another, making classical computing
suitable for a wide range of tasks such as data processing, text editing, web browsing, and more.
However, classical computers encounter limitations when attempting to solve problems that
involve massive amounts of data or complex simulations due to the sequential nature of their
operations.

Figure 3.4. Illustration of classical computer.

3.3.2. Quantum computing
Quantum computing, on the other hand, is a radically different computing paradigm that harnesses
the principles of quantum mechanics such as superposition, entanglement, and interference (see
Figure 3.5.). A quantum bit or qubit is fundamental unit of information. A qubit can exist not only
in the states 0 and 1 but also in a superposition of these states. The state of one qubit dependent on
the state of another qubit even if they are physically separated is called entanglement. Both
superposition and entanglement are quantum phenomena allows qubits to transcend classical
limitations and enable quantum computers to perform certain calculations with remarkable
efficiency. Quantum computing has the potential to solve problems that are currently infeasible
for classical computers. Tasks like factoring large numbers, simulating quantum systems,
optimizing complex systems, and cryptography could be revolutionized by the immense
computational power of quantum computers.
However, building and maintaining stable qubits that can resist environmental noise and
interference is a significant challenge.
 Figure 3.5. Illustration of quantum computing.
3.4. Classical bits vs quantum bits (Qubits)
Quantum and classical bits are the fundamental units of information in quantum and classical
computing, respectively. While they both represent binary information, they operate based on
different principles.
3.4.1. Classical bits: A classical bit is the basic unit of information in classical computing. It can
take on only one of two possible states: 0 or 1, representing the absence or presence of any physical
property of the classical computing system such as an electrical signal and magnetic field (see
Figure 3.6.). Bits are binary digits (0 and 1). It follows the laws of classical physics and obeys
Boolean algebra rules. It processes information through logical operations, using digital electric
circuits composed of classical gates like AND, OR, NOT, etc. Classical bits are independent of
each other, meaning they do not interact or influence one another during computation. Therefore,
they are not changed by measurement. They can be copied and can be erased. For a system with n
components, bits take only n values to fully represent it (see Figure 3.7.).

Figure 3.6. Transistor as a switch: off – Bit 0, and on – Bit 1.

3.4.2. Quantum bits (Qubits): A quantum bit, known as a qubit, is the fundamental unit of
information in quantum computing. Qubits can be represented by |0⟩ and |1⟩ (Dirac notation) and
can exist in a superposition of these two states simultaneously. Qubits are column vectors in Hilbert
space (|0⟩ = (10) and |1⟩ = (01)). This unique quantum mechanical property of qubits makes the
quantum computers to process information in a fundamentally different way. These qubits are
physically implemented through quantum systems such as atoms, photons, nuclei, etc (see Figure
3.8.). It obeys linear algebra rules and processes information through logical operations using
quantum circuits composed of quantum logic gates such as X, Y, Z, H, and CNOT etc. They are
dependent on each other, meaning they do interact and influence one another during computation.
They are changed by measurement. They cannot be copied and cannot be erased. For a system
with n components, qubits take 2n values to fully describe it, giving quantum computers massive
information advantage.

Figure 3.7. Schematic to represent bits and qubits and also exemplify the fundamental difference
between bits and qubits.

(a) Electron’s spin (b) Photon polarization (c) Atom

 (d) Trapped ions (e) Superconducting circuits

[Link]

Figure 3.8. Physical implementation of a qubit: (a) electron’s spin, (b) photon polarization, (c)
atom, (d) trapped ions, (e) superconducting circuits.
3.5. Representation of single and multiple qubits using Dirac notion
The state of n qubits, |𝜓⟩ is typically described using Dirac notation as a vector in complex vector
2n
space, using the following mathematical equation.
2n −1

|ψ⟩ = ∑ αi |i⟩ … … … … … … (3.1. )

i=0

Where |𝜓⟩ represents the state of 𝑛 qubits,

𝛼𝑖 are the complex probability amplitudes for each basis state |𝑖⟩, and the summation is taken over
all possible basis states labeled by 𝑖 ranging from 0 to 2𝑛 -1.
Single qubit:
Definition: A system with a single qubit is called a single qubit system.
The state of a single qubit |𝜓⟩ is represented as a vector in a two-dimensional complex vector space
ℂ2. For example, a single qubit is a state vector (|𝜓⟩) defined by the linear combination of basis
states {|0⟩, |1⟩}:
From equation 3.1.
2n −1

|ψ⟩ = ∑ αi |i⟩
i=0

In a case of a single qubit, n=1

1

|ψ⟩ = ∑ αi |i⟩
i=0

|ψ⟩ = α0 |0⟩ + α1 |1⟩ … … … … … … . . (3.2. )

Where |0⟩ and |1⟩ are the basis states,
𝛼0 and 𝛼1 are complex numbers satisfy the following normalization condition:

0 + 1 = 1 …………………….(3.3.)
2 2

The parameters 𝛼0 and 𝛼1 are also known as (quantum) probability amplitudes as their magnitudes
squared |𝛼0|2 and |𝛼1|2 represent probabilities of finding the state |𝜓⟩ in basis states |0⟩ and |1⟩,
respectively.
𝑃(|0⟩) = |𝛼0|2
𝑃(|1⟩) = | 𝛼1|2
Notably, the sum of the probabilities is always equal to 1,
𝑃(|0⟩) +𝑃(|1⟩) = |𝛼0|2 + | 𝛼1|2 = 1 (normalization condition).
The computational basis is represented in matrix form as follows:
1 0
|0⟩ = ( ) and |1⟩ = ( )
0 1
Based on the presentation, the arbitrary state of the single qubit is written as

|ψ⟩ = α0 |0⟩ + α1 |1⟩ = α0 (10) + α1 (01) = (αα0)

1

Multiple qubits:
Definition: A system with more than one qubit is called multiple qubit system.
Two-qubit system:
The state of a two-qubit system, |𝜓⟩ is represented as a vector in a four-dimensional complex vector
space ℂ4. For example, a two-qubit is a state vector (|𝜓⟩) defined by the linear combination of basis
states {|00⟩, |01⟩, |10⟩, and |11⟩}:
For equation 3.1.
2n −1

|ψ⟩ = ∑ αi |i⟩
i=0

For the case of two qubit system, n=2

3

|ψ⟩ = ∑ αi |i⟩
i=0

|ψ⟩ = α0 |0⟩ + α1 |1⟩ + α2 |2⟩ + α3 |3⟩

|ψ⟩ = α0 |00⟩ + α1 |01⟩ + α2 |10⟩ + α3 |11⟩ … … … … … … … (3.4. )
Where 𝛼0, 𝛼1, 𝛼2, and 𝛼3 are complex probability amplitudes.
And |00⟩, |01⟩, |10⟩, and |11⟩ are the basis states.
The probabilities are given by
𝑃 (|00⟩) = |𝛼0|2
𝑃(|01⟩) = | 𝛼1|2
𝑃 (|10⟩) = |𝛼2|2
𝑃(|11⟩) = | 𝛼3|2
Notably, the sum of the probabilities is always equal to 1,
𝑃(|00⟩) +𝑃(|01⟩)+ 𝑃 (|10⟩) + 𝑃(|11⟩) = |𝛼0|2 + | 𝛼1|2 +|𝛼2|2 +| 𝛼3|2= 1 (normalization condition).
The computational basis is represented in matrix form as follows:

1 0 0 0
|00⟩ = [0], |01⟩ = [1], |10⟩ = [0], |11⟩ = [0]
0 0 1 0
0 0 0 1

Based on the presentation, the arbitrary state of the two-qubit system is written as
1 0 0 0 α0
α1
|ψ⟩ = α0 |00⟩ + α1 |01⟩ + α2 |10⟩ + α3 |11⟩ = α0 [0] + α1 [1] + α2 [0] + α3 [0] = [α ]
0 0 1 0 2
0 0 0 1 α3
Three-qubit system:
The state of a three-qubit system, |𝜓⟩ is represented as a vector in a four-dimensional complex
vector space ℂ8. For example, a three-qubit is a state vector (|𝜓⟩) defined by the linear combination
of basis states {|000⟩, |001⟩, |010⟩, |011⟩, |100⟩, |101⟩, and |110⟩and |111⟩}:
For equation 3.1.
2n −1

|ψ⟩ = ∑ αi |i⟩
i=0

For the case of two qubit system, n=3

7

|ψ⟩ = ∑ αi |i⟩
i=0

|ψ⟩ = α0 |0⟩ + α1 |1⟩ + α2 |2⟩ + α3 |3⟩ + α4 |4⟩ + α5 |5⟩ + α6 |6⟩ + α7 |7⟩

|ψ⟩ = α0 |000⟩ + α1 |001⟩ + α2 |010⟩ + α3 |011⟩ + α4 |100⟩ + α5 |101⟩ + α6 |110⟩ +
α7 |111⟩…………..(3.5.)
Where 𝛼0, 𝛼1, 𝛼2, 𝛼3, 𝛼4, 𝛼5, 𝛼6, and 𝛼7 are complex probability amplitudes.
And |000⟩, |001⟩, |010⟩, |011⟩, |100⟩, |101⟩, |110⟩, and |111⟩ are the basis states.
The probabilities are given by
𝑃 (|000⟩) = |𝛼0|2
𝑃(|001⟩) = | 𝛼1|2
𝑃 (|010⟩) = |𝛼2|2
𝑃(|011⟩) = | 𝛼3|2
𝑃 (|100⟩) = |𝛼4|2
𝑃(|101⟩) = | 𝛼5|2
𝑃 (|110⟩) = |𝛼6|2
𝑃(|111⟩) = | 𝛼7|2
Notably, the sum of the probabilities is always equal to 1,
𝑃(|000⟩) +𝑃(|001⟩)+ 𝑃 (|010⟩) + 𝑃(|011⟩) + 𝑃 (|100⟩) +𝑃(|101⟩)+ 𝑃 (|110⟩) + 𝑃(|111⟩) = |𝛼0|2 + |
𝛼1|2 +|𝛼2|2 +| 𝛼3|2+|𝛼4|2+| 𝛼5|2+|𝛼6|2+| 𝛼7|2= 1 (normalization condition).
The computational basis is represented in matrix form as follows:
1 0 0 0
0 1 0 0
0 0 1 0
0 0 0 1
|000⟩ = , |001⟩ = , |010⟩ = , |011⟩ =
0 0 0 0
0 0 0 0
0 0 0 0
[0] [ 0 ] [ 0] [ 0]
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
|001⟩ = , |101⟩ = , |110⟩ = , |111⟩ =
1 0 0 0
0 1 0 0
0 0 1 0
[0] [0 ] [0] [1]
Based on the presentation, the arbitrary state of the three-qubit system is written as
 |ψ⟩ = α0 |000⟩ + α1 |001⟩ + α2 |010⟩ + α3 |011⟩ + α4 |100⟩ + α5 |101⟩ + α6 |110⟩ + α7 |111⟩
1 0 0 0 0 0 0 0 α0
0 1 0 0 0 0 0 0 α1
0 0 1 0 0 0 0 0 α2
0 0 0 1 0 0 0 0 α3
= α0 + α1 + α2 + α3 + α4 + α5 + α6 + α7 = α
0 0 0 0 1 0 0 0 4
0 0 0 0 0 1 0 0 α5
0 0 0 0 0 0 1 0 α6
[0] [0] [0] [0] [0] [0 ] [0] [1] [α7 ]
3.6. Superposition and entanglement of qubits
3.6.1. Superposition:
Quantum superposition is a key principle of quantum mechanics which states that the
unobserved/unmeasured quantum system can exist in multiple states simultaneously.
As a result, the quantum systems exist as a combination of all possible states, enabling it to process
multiple possibilities simultaneously. Hence, this property permits the quantum computers to carry
out parallel computations efficiently.
Mathematically, a general state of a single qubit |𝜓⟩ is described as a superposition of basis states
|0⟩ and |1⟩ given by,
|ψ⟩ = α0 |0⟩ + α1 |1⟩ … … … … … (3.6. )
Here, |0⟩ and |1⟩ create an orthonormal basis in a Hilbert space and are often called computational
basis states.
𝛼 and 𝛽 are complex numbers satisfy condition |𝛼|2+ |𝛽|2 = 1.
For multiple qubits, a general superposition state, |𝜓⟩ can be written as:
2n −1

|ψ⟩ = ∑ αi |i⟩
i=0

where | 𝜓 ⟩ is the state of 𝑛 qubits, 𝛼𝑖 are complex probability amplitudes, and the summation is
taken over all possible basis states labeled by 𝑖.
Example: Electron’s spin superposition
Electron spin is an intrinsic quantum property that behaves like a tiny magnet moment. The spin
of an electron is measured along a specific axis (for example, z- axis), it can only be one of the
two states:
spin-up, denoted by |0⟩
spin-down, denoted by |1⟩
The state of a single electron’s spin (single qubit), | 𝜓 ⟩ can be written as superposition of |0⟩ and
|1⟩ (see Figure 3.9. (a)).
|𝜓⟩ = 𝛼|0⟩ + 𝛽|1⟩……………..(3.7.)
For the case of two electrons, the superposition state of these two electrons’ spin is given by (see
Figure 3.9. (b)).
|ψ⟩ = α0 |00⟩ + α1 |01⟩ + α2 |10⟩ + α3 |11⟩ … … … … … . (3.8. )
Physical significance:
i. Reveals the quantum reality
Superposition proves that quantum particles do not behave like the classical particles,
i.e., it can exist in multiple states at the same time.
ii. Foundation of quantum computing power
For the system of N qubits, superposition allows 2N possible state to exist
simultaneously. N classical bits represent only one out of 2N states at a time whereas N
qubits represent all 2N states simultaneously. This parallelism gives the quantum
computer exponential power.
iii. Enables entanglement and quantum communication
Superposition aids the particles to be entangled, means measurement of one instantly
determines the other, no matter how far they are.
Superposition is necessary for entanglement and entanglement powers:
• quantum communication networks
• quantum cryptography
• quantum teleportation
 Figure 3.9. The superposition state of (a) single electron’s spin and (b) two electrons’ spin.
3.6.2. Entanglement
Entanglement is a phenomenon in which two or more quantum particles become linked in a such
a way that the measurement of the state of one particle determines instantaneously the state of
other, even if they are separated physically by very large distances. Einstein called this as “spooky
action at a distance”.
Therefore, the combined state of the entangled particles cannot be written as the tensor product of
the individual states of the particles.
Examples:
For example, consider a system of two particles, such as electrons (see Figure 3.10.) or photons
(see Figure 3.11.), and it is known that electron can only be one of the two states:
spin-up, denoted by |0⟩
spin-down, denoted by |1⟩
and photon can also only be one of the two states:
horizontally polarized, denoted by |0⟩
vertically polarized, denoted by |1⟩
if their quantum states are entangled, its entangled state is often denoted as

+ =
( 01 + 10 )
2
Here, |01⟩ and |10⟩ denote the states where the first particle (electron or photon) is in state |0⟩ and
the second (electron or photon) is in state |1⟩, and vice versa.
In the entangled state, if you measure the state of one of the particles, say the first one, and find it
to be in state |0⟩, then the state of the other particle collapses instantly to |1⟩, and vice versa. This
instantaneous correlation between the particles’ states, regardless of the distance between them, is
what characterizes entanglement.
Electron’s spin:

Figure. 3.10. Generating and measuring a pair of entangled electrons.

Photon polarization:

Figure. 3.11. Generating and measuring a pair of entangled photons.

Physical significance:
i. Enables quantum parallelism
Entangled qubits store and process exponentially more information than independent
qubits.
N
N entangled qubits 2 states
Thus, entanglement is fuel for quantum computing power.
 ii. Essential for quantum gates
Multi-qubit operations (CNOT, CZ) generate entanglement, which is necessary for
quantum logic. Without entanglement, quantum computers reduce to classical
computers.
iii. Basis for quantum teleportation
Quantum information can be transferred using entanglement. It is not the physical
particle, but its state. It is used in future quantum internet and secure networks.
iv. Enables superdense coding
With advantage of entanglement, 2 classical bits of information can be sent using only
1 qubit.
v. Foundation of quantum cryptography
Entanglement property ensures that communication is secure. If a hacker tries to
measure them, entanglement breaks, signaling eavesdropping.
3.7. Quantum measurement and state collapse
In classical computing, measurement produces a deterministic outcome that directly reveals the
current state of a classical bit (see Figure 3.12.). In contrast, quantum measurement produces
probabilistic outcome due to the principles of superposition and entanglement. The process of
quantum measurement, described mathematically by a set of measurement operators, plays a
crucial role in extracting information from a quantum system.
When a measurement is performed on a quantum state, the system’s state collapses to one of the
possible measurement outcomes, with probabilities determined by the squared magnitudes of the
corresponding probability amplitudes.
For a single qubit, a measurement in the computational basis ({|0⟩, |1⟩}) can be represented as:
|ψ⟩ = α0 |0⟩ + α1 |1⟩
where (α) and (β) are complex probability amplitudes.
When a measurement is performed on the state of a single qubit, the state collapses to either |0⟩ or
|1⟩ (see Figure 3.13.). The probabilities of obtaining each outcome are given by:
P(|0⟩)=|⟨0|ψ⟩|2=|α|2, P(|1⟩)=|⟨1|ψ⟩|2=|β|2
Here, (|ψ⟩) represents the state of a single qubit, and (P(.)) denotes the probability of measuring
the corresponding basis state.
For multi-qubit systems, the possible measurement outcomes correspond to the basis states of the
tensor product space, and their probabilities are computed in an analogous way (for example, two-
qubit system and see Figure 3.14.). After measurement, the quantum state collapses to the observed
outcome, and any subsequent operations or measurements are influenced by this post-
measurement state.
Classical bit:

Figure 3.12. Measurement of a classical bit.

Single qubit:

Figure 3.13. Measurement of a single qubit system.

Two-qubit:

Figure 3.14. Measurement of a two-qubit system.

3.8. Bloch sphere: Geometrical representation of a state of a single qubit
The Bloch sphere is a powerful geometric model that visually represents the state of a single qubit
in quantum computing (see Figure 3.15.). It maps every pure qubit state to a unique point on the
surface of a sphere. On this sphere, the north pole corresponds to the basis state (|0⟩), the south
pole corresponds to (|1⟩), and the equator contains all equal-superposition states of (|0⟩) and (|1⟩)
with different phase relationships.
This representation provides an intuitive way to understand qubit behavior, including
superposition, phase, and quantum state transformations. By expressing the qubit amplitudes
mathematically, the state (|0⟩) and (|1⟩) coefficients are mapped to spherical coordinates, allowing
the qubit to be described as a point on the Bloch sphere.
Mathematically, a general qubit state |𝜓⟩ is written as:
   
 = cos   0 + ei sin   1 .............(3.9.)
2   2 
Where, 𝜃 is the polar angle between the state vector, |𝜓⟩ and the positive 𝑧-axis (north pole) of the
Bloch sphere, with 0≤θ≤π
𝜙 is the phase angle measured in the xy plane from positive x-axis to the projection vector of the
state vector, |𝜓⟩, with 0≤𝜙≤2π.

Figure 3.15. The Bloch sphere representation of qubits.

The values of θ and 𝜙 corresponding to different qubit states and their positions on the Bloch
sphere (with calculations) are summarized in the table below.

Axis θ 𝜙 Bloch sphere 

z 0 0 0

-z π 0 1

x  0 0 +1
2 2

-x  π 0 −1
2 2
y   0 +i 1
2 2 2

-y  3 0 −i 1
2 2 2
 Unit IV: Quantum Logic Gates
Quantum logic gates are the basic components of quantum circuits, just as classical logic gates
form the building blocks of classical circuits. Quantum gates act on one or more qubits by
changing their quantum state through specific quantum operations defined by unitary
matrices. A single-qubit gate might, for instance, rotate the state vector of a qubit on the Bloch
sphere, while multi-qubit gates can entangle the states of qubits to perform complex
operations. The actions of these gates are mathematically described by matrix-vector
multiplication, transforming the input state of a qubit into a new state. The most widely used
quantum logic gates include the Pauli X, Pauli Y, Pauli Z, Hadamard, CNOT, SWAP gates, etc.
These gates perform particular operations and are utilised in various quantum algorithms. The
use of quantum logic gates affords quantum computers the capability to perform operations and
resolve problems that are beyond the reach of classical computers.

4.1 Unitary transformations and matrix representation:

4.1.1 Unitary transformations:
Unitary transformations preserve the inner product and the normalization of quantum states.
A unitary transformation can be represented by a unitary matrix U as,
UϮU = UUϮ = I
Here, UϮ denotes the conjugate transpose (adjoint) of U and I is the identity matrix.
This ensures that the gate preserves the normalization of the quantum state and hence preserves
the probabilities associated with quantum measurements.
4.1.2 Matrix Representation:
Quantum gates are the fundamental components of quantum circuits, manipulating qubits to
perform computations. Unlike classical gates that operate on binary bits, quantum gates act on
qubits, which can exist in superposition states. These gates are mathematically represented using
matrices, defining how they transform quantum states.
Quantum gates are represented by unitary matrices that act on quantum state vectors.
For a single qubit, the state is described as a two-dimensional complex vector:
α
|ψ⟩ = α|0⟩ + β|1⟩ = [β] = α, β ∈ C, |α|2 + |β|2 = 1

A single-qubit gate is represented by a 2 × 2 unitary matrix U that transforms the state |ψ⟩ as:
U |ψ⟩ = |ψ′⟩
For an n-qubit system, the gate is represented by a 2n × 2n unitary matrix.

Properties of Quantum Gate Matrices:

Quantum gate matrices possess specific properties that ensure they represent physically
feasible quantum operations.
Unitarity:
All quantum gate matrices must be unitary (UϮU = UUϮ = I), ensuring the preservation of
quantum state normalization and the reversibility of quantum operations.
Hermiticity:
Some quantum gates, such as Pauli gates and the Hadamard gate, are Hermitian (UϮ = U),
meaning they are equal to their own conjugate transpose.
Eigen values and Eigen states:
The eigenvalues and eigenstates of quantum gate matrices provide insight into their action on
quantum states.
For instance, the Hadamard gate has eigenvalues λ1, 2 = ±1 with corresponding eigenstates.
Examples of gate matrices
The Pauli X, Y and Z gates are defined as:
0 1 0 −𝑖 1 0
X= [ ];Y= [ ]; Z = [ ]
1 0 𝑖 0 0 −1
The Hadamard gate creates superposition:
1 1 1
H= [ ]
√2 1 −1
The controlled-NOT (CNOT) gate acts on two qubits:
 1 0 0 0
1
CNOT= [0 0 0]
0 0 0 1
0 0 1 0

Quantum Logic Gates:

In classical computing, logic gates like AND, OR, NOT, etc. are used to perform operations
on bits, the basic units of information. Similarly, quantum gates are the operations that
manipulate qubits, the fundamental unit of information in quantum computing. In quantum
computing, the gates are mathematically represented by unitary matrices. These unitary
matrices ensure that the quantum state remains normalized (probability of all possible states
sums to 1) after the operation. Furthermore, these gates can create superpositions, entangled
qubits, and perform rotations on the Bloch sphere, enabling parallel processing and complex
computations not possible with classical computers. There are various types of quantum gates,
each serving different functions in quantum computations. These gates are classified
into single-qubit gates and multiple qubit gates, based on how many qubits they act upon.

Quantum Logic Gates

Single Qubit Gates Multiple Qubit Gates

e.g. Pauli X, Y, Z and Hadamard, etc. e.g. SWAP, CNOT, CCNOT, etc.

4.2 Single Qubit Logic Gates:

Single qubit gates operate on a single qubit for transforming its quantum state, these gates are
typically represented by 2×2 unitary matrices.
The basis states for a single-qubit state can be represented as
1 0
|0⟩ = [ ], |1⟩ = [ ]
0 1
The following single qubit gates are discussed here
Identity Gate (I), Pauli Gates: X, Y, and Z, Hadamard Gate (H) and Phase Gate (S)

4.2.1 Identity gate (I):

The Identity gate is a fundamental quantum gate that leaves the quantum state unchanged. It
is represented by the identity matrix.
 1 0
I=[ ]
0 1
In a circuit diagram, an identity gate is represented by a square with the letter “I” in it, as shown
below

i/p I o/p

Applying the identity gate on |0⟩

1 0 1 1
I |0⟩ = [ ] [ ] = [ ] = |0⟩
0 1 0 0
Applying the identity gate on |1⟩
1 0 0 0
I |1⟩ = [ ] [ ] = [ ] = |1⟩
0 1 10 1
Applying the Identity gate on a quantum state |ψ⟩ does not change the state
I |ψ⟩ = |ψ⟩
However, since it has no effect on the output, it rarely needs to be drawn. It is comparable to
the buffer gate in classical computation. The Identity gate is Unitary (IϮ I = I) and Hermitian (IϮ
= I).

4.2.2 Pauli X, Y and Z Gates:

Pauli gates (X, Y, and Z) are fundamental single-qubit operations in quantum computing that
perform rotations of a qubit's state on the Bloch sphere by 180 degrees (π radians) around the
corresponding axes. They are represented by Pauli matrices (2×2) and are essential building
blocks for quantum algorithms, error correction, and overall quantum state manipulation.

[Link] Pauli-X Gate (Quantum NOT Gate):

The Pauli-X gate, often referred to as the "X gate,” "quantum NOT gate," and “bit-flip gate,”
is one of the fundamental quantum logic gates used in quantum computing. Similar to the
classical NOT gate, or logical negation, the gate flips the state of a single qubit, changing the
quantum state |0⟩ to |1⟩ and |1⟩ to |0⟩. Due to its simplicity and crucial function in quantum
computations, the Pauli-X gate is integral to virtually all quantum circuits.
In a circuit diagram, the Pauli X gate is represented by the following symbol

i/p X o/p

The matrix of Pauli X gate is represented by

0 1
X=[ ]
1 0
Action of X-gate on inputs:
When X operates on |0 and |1 the output will be inverted (i.e. |0 becomes |1 and
|1 becomes|0)
When the Pauli-X gate is applied to the qubit state |0⟩, it flips |0⟩ to state |1⟩
0 1 1 0
X |0⟩ = [ ] [ ] = [ ] = |1⟩
1 0 0 1
When the Pauli-X gate is applied to the qubit state |1⟩, it flips |1⟩ to state |0⟩
0 1 0 1
X |1⟩ = [ ] [ ] = [ ] = |0⟩
1 0 1 0
In the similar way the action of X-gate on the superposition state (α|0⟩+β|1⟩) can be determined.
Truth Table:

X-Gate:
Input Output
|0⟩ |1⟩
|1⟩ |0⟩
α|0⟩ + β|1⟩ α|1⟩ + β|0⟩

[Link] Pauli-Y Gate: The Pauli-Y gate introduces a phase shift and swaps the amplitudes of
state |0⟩ and |1⟩.
In a circuit diagram, the Pauli Y gate is represented by the following symbol

i/p Y o/p

The matrix of Pauli Y gate is represented by

0 −𝑖
Y=[ ]
𝑖 0
Action of Y-gate on inputs:
When the Pauli-Y gate is applied to the qubit state |0⟩, it introduces both a phase change and
a bit-flip
0 −𝑖 1 0
Y |0⟩ = [ ] [ ] = [ ] = i|1⟩
𝑖 0 0 i
Similarly, when the Pauli-Y gate is applied to the qubit state |1⟩, it introduces both a phase
change and a bit-flip:
 0 −𝑖 0 −i
Y |1⟩ = [ ] [ ] = [ ] = -i|0⟩
𝑖 0 1 0
In the similar way the action of Y-gate on the superposition state (α|0⟩+β|1⟩) can be determined.
Truth Table:

Y-Gate:
Input Output
|0⟩ i|1⟩
|1⟩ -i|0⟩
α|0⟩ + β|1⟩ iα|1⟩-i β|0⟩

[Link] Pauli-Z Gate:

The Pauli-Z gate introduces a phase flip on the |1⟩ state and |0⟩ state remains unchanged
In a circuit diagram, the Pauli Z gate is represented by the following symbol

i/p Z o/p

The matrix of Pauli Z gate is represented by

1 0
Z=[ ]
0 −1
Action of Z-gate on inputs:
When the Pauli-Z gate is applied to the qubit state |0⟩, it remains unchanged
1 0 1 1
Z |0⟩ = [ ] [ ] = [ ] = |0⟩
0 −1 0 0
Similarly, when the Pauli-Z gate is applied to the qubit state |1⟩, it introduces a phase change
1 0 0 0
Z |1⟩ = [ ] [ ] = [ ] = - |1⟩
0 −1 1 −1
In the similar way the action of Z-gate on the superposition state (α|0⟩+ β|1⟩) can be determined.
In summary, the Pauli-Z gate introduces a phase change to qubit |1⟩, leaving qubit |0⟩
unchanged.
Truth Table:
Z-Gate:
Input Output
|0⟩ |0⟩
|1⟩ -|1⟩
α|0⟩ + β|1⟩ α|0⟩ - β|1⟩

Truth table of Pauli X, Y and Z gates:

Output
Input
Pauli - X Pauli - Y Pauli - Z
|0⟩ |1⟩ i|1⟩ |0⟩

|1⟩ |0⟩ -i|0⟩ -|1⟩

α|0⟩ + β|1⟩ α|1⟩ + β|0⟩ iα|1⟩-i β|0⟩ α|0⟩ - β|1⟩

4.2.3 Hadamard Gate (H-Gate):

The Hadamard (H) gate is a fundamental single-qubit quantum gate that creates superposition
|0⟩+|1⟩ |0⟩−|1⟩
and maps |0⟩ to and |1⟩ to
√2 √2

In a circuit diagram, the Hadamard gate is represented by the following symbol

i/p H o/p
h
The Hadamard gate is represented by the following matrix:
1 1 1
H= [ ]
√2 1 −1
Action of H-gate on inputs:
When the Hadamard gate is applied to the qubit state |0⟩, it creates an equal superposition of
the basis states |0⟩ and |1⟩
1 1 1 1 1 1 1 1 0 1
H |0⟩ = [ ] [ ] = [ ] = ([ ] + [ ] ) = (|0⟩+|1⟩)
√2 1 −1 0 √2 1 √2 0 1 √2

1
The resulting state after applying the Hadamard gate to the |0⟩ state is |+⟩ = (|0⟩ + |1⟩).
√2

Similarly, when the Hadamard gate is applied to the qubit state |1⟩, it also creates an equal
superposition of the basis states |0⟩ and |1⟩:
 1 1 1 0 1 1 1 1 0 1
H |1⟩ = [ ] [ ] = [ ] = ([ ] − [ ] ) = (|0⟩-|1⟩)
√2 1 −1 1 √2 −1 √2 0 1 √2

1
The resulting state after applying the Hadamard gate to the |1⟩ state is |-⟩ = (|0⟩ - |1⟩). In
√2
summary, the Hadamard gate creates superposition, transforming |0⟩ into an equal
superposition of |0⟩ and |1⟩, and transforming |1⟩ into an equal superposition with a relative
negative phase.

Truth Table:

Hadamard Gate:

Input Output

|0⟩ |0⟩ + |1⟩

√2

|1⟩ |0⟩ − |1⟩

√2

α|0⟩ + β|1⟩ α(
|0⟩+|1⟩
)+β(
|0⟩−|1⟩
)
√2 √2

4.2.4 Phase Gate (S-Gate):

It is a single qubit gate, in quantum computing, the S gate, also known as the phase gate or the
Z90 gate or Z gate, is a single-qubit operation that performs a 90-degree rotation (π/2 radians)
around the Z-axis of the Bloch sphere.
In a circuit diagram, the Phase gate is represented by the following symbol

i/p S o/p
The matrix of S gate is represented by h
1 0
S=[ ]
0 𝑖
Action of S gate on inputs:
Applying the S gate to a qubit in the |0⟩ state results in the |0⟩ state
1 0 1 1
S|0⟩ = [ ] [ ] = [ ] = |0⟩
0 𝑖 0 0
Applying the S gate to a qubit in the |1⟩ state transforms the state to i|1⟩.
 1 0 0 0
S|1⟩ = [ ] [ ] = i [ ] = i|1⟩
0 𝑖 1 1
Truth Table:
S-Gate
Input Output
|0⟩ |0⟩
|1⟩ i|1⟩
α|0⟩ + β|1⟩ α|0⟩ + iβ|1⟩

Single qubit gates play a crucial role in quantum computing, allowing for the manipulation of
qubit states and the creation of superpositions which form the basis for quantum algorithms
and quantum information processing.

4.3 Multiple Qubit Gates:

Multiple qubit quantum gates are quantum gates that operate on more than one qubit
simultaneously. These gates play a crucial role in quantum algorithms and quantum circuit
design. Multiple qubit gates are essential for implementing complex quantum algorithms, such
as quantum error correction, quantum teleportation, and various quantum circuits. These gates
enable the manipulation of entangled states and the execution of quantum operations on a larger
scale, making them indispensable in the field of quantum computing.

Two qubit quantum gates:

The basis states for a two-qubit state can be represented as matrices:
1 0 0 0
0 1 0 0
|00⟩ = [0] |01⟩ = [0] |10⟩ = [1] | |11⟩ = [0]
0 0 0 1

4.3.1 Controlled-NOT (CNOT) Gate:

The Controlled-NOT (CNOT) gate is a two-qubit quantum gate that performs a bit-flip
operation on the target qubit (second qubit) based on the state of the control qubit (first qubit).
It flips the state of the target qubit if and only if the control qubit is in state |1⟩.
The symbol and matrix representation of the CNOT gate are as following,
Symbol of CNOT Gate:

|c⟩ |c⟩

|t⟩ |c t⟩
Here, the first qubit is the control |c⟩ qubit, and the second qubit is the target qubit |t⟩
Matrix representation:
1 0 0 0
1
CNOT= [0 0 0]
0 0 0 1
0 0 1 0
Action of CNOT Gate on inputs:
When the CNOT gate is applied to the qubits, the operation depends on the state of the control
qubit |c⟩.
If the control qubit |c⟩ = |0⟩, the target qubit |t⟩ remains unchanged.
If the control qubit |c⟩ = |1⟩, the target qubit |t⟩ undergoes a bit-flip
The application of the CNOT gate to basis states in a two-qubit system can be represented as
follows:

1 0 0 0 1 1
CNOT |00⟩ = [0 1 0 0] [ ] = [0] = |00⟩
0
0 0 0 1 0 0
0 0 1 0 0 0

1 0 0 0 0 0
CNOT |01⟩ = [0 1 0 0] [1] = [1] = |01⟩
0 0 0 1 0 0
0 0 1 0 0 0

1 0 0 0 0 0
1 0
0] [ ] = [0] = |11⟩
CNOT |10⟩ = [0 0
0 0 0 1 1 0
0 0 1 0 0 1
1 0 0 0 0 0
CNOT |11⟩ = [0 1 0 0] [0] = [0] = |10⟩
0 0 0 1 0 1
0 0 1 0 1 0
In summary, the CNOT gate performs a bit-flip on the target qubit if and only if the control
qubit is in the state |1⟩, while leaving the target qubit unchanged when the control qubit is in
the state |0⟩.
Truth Table:
Input Output
|c⟩ |t⟩ |c c⊕ t ⟩
|0⟩ |0⟩ |00⟩
|0⟩ |1⟩ |01⟩
|1⟩ |0⟩ |11⟩
|1⟩ |1⟩ |10⟩

4.3.2 SWAP Gate:

It is a two qubit quantum logic gate. To perform the swapping operation, the SWAP gate
requires two qubits as inputs. The primary function of the SWAP gate is to "swap" the states
of two qubits. After applying the SWAP gate, the state of the first qubit becomes the state of
the second qubit, and vice versa. The SWAP gate is reversible, meaning you can apply it again
to restore the original states of the qubits.
The diagram below shows how a SWAP gate is represented in quantum circuits.

It can also be represented as

qubit 1 qubit 2

qubit 1
qubit 2

The SWAP gate can be decomposed into three CNOT gates, as shown below

qubit 1

qubit 2
The SWAP gate plays an essential role in quantum computing when you need to rearrange the
order of qubits in a quantum circuit or when you want to move information from one qubit to
another.
SWAP Gate matrix:
1 0 0 0
0
[0 1 0]
0 1 0 0
0 0 0 1
Mathematically, the SWAP gate's action on a quantum state is
SWAP (|ϕ1⟩⊗|ϕ2⟩) = |ϕ2⟩⊗|ϕ1⟩

The Action of the SWAP gate is as follows.

Operation of SWAP Gate for input |00⟩: |00⟩ → |00⟩
Operation of SWAP Gate for input |01⟩: |01⟩ → |10⟩
Operation of SWAP Gate for input |10⟩: |10⟩ → |01⟩
Operation of SWAP Gate for input |11⟩: |11⟩ → |11⟩

1 0 0 0 1 1
SWAP |00⟩ = [0 0 1 0] [0] = [0] = |00⟩
0 1 0 0 0 0
0 0 0 1 0 0
1 0 0 0 0 0
SWAP |01⟩= [0 0 1 0] [ ] = [0] = |10⟩
1
0 1 0 0 0 1
0 0 0 1 0 0
1 0 0 0 0 0
SWAP |10⟩= [0 0 1 0] [0] = [1]= |01⟩
0 1 0 0 1 0
0 0 0 1 0 0
1 0 0 0 0 0
SWAP |11⟩= [0 0 1 0] [ ]=[0]=
0
|11⟩
0 1 0 0 0 0
0 0 0 1 1 1
Truth Table:
Input Output

|00⟩ |00⟩

|01⟩ |10⟩

|10⟩ |01⟩

|11⟩ |11⟩

Three qubit Quantum Gates:

The basis states for a three-qubit system are {|000⟩, |001⟩, |010⟩, |011⟩, |100⟩, |101⟩, |110⟩,
|111⟩} can be represented as matrices,

1 0 0 0
0 1 0 0
0 0 1 0
|000⟩ = 0 |001⟩ = 0 |010⟩ = 0 |011⟩ = 1
0 0 0 0
0 0 0 0
0 0 0 0
[0] [0] [0] [0]
0 0 0 0
0 0 0 0
0 0 0 0
|100⟩ = 0 |101⟩ = 0 |110⟩ = 0 |111⟩ = 0
1 0 0 0
0 1 0 0
0 0 1 0
[0] [0] [0] [1]

4.3.3 Controlled Controlled NOT (CCNOT) or Toffoli Gate:

The CCNOT gate, also known as the Toffoli gate, is a three-qubit gate with two control qubits
|c1⟩, |c2⟩ and one target qubit |t⟩.
It flips the state of the target qubit |t⟩ if and only if both control qubits (|c1⟩, |c2⟩) are in state
|1⟩.
Symbol of CCNOT Gate:

|c1⟩ |c1⟩
|c2⟩ |c2⟩

|t⟩ | c1 c2 t (c1. c2⟩

Matrix representation of CCNOT:

1 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0
0 0 1 0 0 0 0 0
0 0 1 0 0 0 0
CCNOT= 0
0 0 0 0 1 0 0 0
0 0 0 0 0 1 0 0
0 0 0 0 0 0 0 1
[0 0 0 0 0 0 1 0]

The operation can be explicitly written as:

CCNOT (|c1⟩ |c2⟩ |t⟩) = |c1⟩ |c2⟩ |t ⊕ (c1 · c2) ⟩
If both control qubits are |0⟩:
CCNOT (|0⟩ |0⟩ |t⟩) = |0⟩ |0⟩ |t⟩
If both control qubits are |1⟩:
CCNOT (|1⟩ |1⟩ |t⟩) = |1⟩ |1⟩ |t ⊕ 1⟩
Mixed control states leave target unchanged:
CCNOT (|1⟩ |0⟩ |t⟩) = |1⟩ |0⟩ |t⟩
CCNOT (|0⟩ |1⟩ |t⟩) = |0⟩ |1⟩ |t⟩
Action of CCNOT Gate on inputs:

1 0 0 0 0 0 0 0 1 1
0 1 0 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0
T |000⟩ = 0 = 0 = |000⟩
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 1 0 0 0 0
0 0 0 0 0 0 0 1 0 0
[0 0 0 0 0 0 1 [
0] 0 ] [ 0]
 1 0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 1 1
0 0 1 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0
T |001⟩ = 0 = 0 = |001⟩
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 1 0 0 0 0
0 0 0 0 0 0 0 1 0 0
[0 0 0 0 0 0 1 [
0] 0 ] [ 0]

1 0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 1 1
0 0 1 0 0 0 0 0
T |010⟩ = 0 = 0 = |010⟩
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 1 0 0 0 0
0 0 0 0 0 0 0 1 0 0
[0 0 0 0 0 0 1 0] [ 0 ] [ 0]

1 0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 0 0
0 0 1 0 0 0 0 1
T |011⟩ = 0 = 1 = |011⟩
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 1 0 0 0 0
0 0 0 0 0 0 0 1 0 0
[0 0 0 0 0 0 1 0] [0] [0]

1 0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0
T |100⟩ = 0 = 0 = |100⟩
0 0 0 0 1 0 0 0 1 1
0 0 0 0 0 1 0 0 0 0
0 0 0 0 0 0 0 1 0 0
[0 0 0 0 0 0 1 0] [ 0] [ 0]

1 0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0
T |101⟩ = 0 = 0 = |101⟩
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 1 0 0 1 1
0 0 0 0 0 0 0 1 0 0
[0 0 0 0 0 0 1 [
0] 0 ] [ 0]
 1 0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 = 0 = |111⟩
T |110⟩ = 0
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 1 0 0 0 0
0 0 0 0 0 0 0 1 1 0
[0 0 0 0 0 0 1 0] [0] [1]

1 0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0 0 0
0 0 1 0 0 0 0 0
T |111⟩ = 0 = 0 = |110⟩
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 1 0 0 0 0
0 0 0 0 0 0 0 1 0 1
[0 0 0 0 0 0 1 0] [ 1] [ 0]

CCNOT Truth Table:

Input Output
|c1⟩ |c2⟩ |t⟩ |c1⟩ |c2⟩ |t ⊕ (c1 · c2)

0 0 0 0 0 0

0 0 1 0 0 1
0 1 0 0 1 0
0 1 1 0 1 1
1 0 0 1 0 0
1 0 1 1 0 1
1 1 0 1 1 1
1 1 1 1 1 0

In summary, the Toffoli gate performs a bit-flip on the target qubit if and only if both control
qubits are in the state |1⟩, while leaving the target qubit unchanged in all other cases.