QUANTUM MECHANICS & QUANTUM COMPUTING

DUAL NATURE OF MATTER :

Light exhibits the phenomena of interference, diffraction, polarization and also photo
electric effect and Compton Effect. Interference, diffraction and polarization can be explained by
wave nature of light which is based on transfer of energy. The photoelectric effect and Compton
Effect are explained by quantum theory. This indicates the particle nature of light which is based
on transfer of momentum apart from transfer of energy. So light has d ual nature that is wave
nature and particle nature.

In 1924 Debroglie proposed that a beam of particles behave as a wave in transferring energy.
This is dual nature of matter. He proposed this without any strong experimental support and
hence called hypothesis.

Matter Waves: waves associated with the material particle are called mater waves.

Debroglie hypothesis:

The dual nature of light possessing both wave and particle properties was explained by
combining plank‟s expression for energy of a photon E = h with Einstein‟s mass energy relation
E = mc2

h = mc2

c
But we know = , we get

hc h h
= mc2 or = =
mc p

The wave length is called Debroglie wavelength.

It is defined as the ratio of plank‟s constant to the momentum of a particle.

h h
= =
mv p

Particle does not exhibit the wave nature and particle nature simultaneously.

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Debroglie wavelength of electron:

When a potential difference „V‟ is applied to the electron it accelerates with velocity „v‟ then the
work done on the electron is „eV‟. This work done is converted into the kinetic energy of the
electron. Thus,

1 2
eV = mv
2

2meV = (mv)2

mv = 2meV

h
Substitute this value in debroglie wavelength = .
mv
34
h 6.625 x 10
= =
31 19
2meV 2 x9.1x10 x 1.6 x10 xV

12.27 1.227
= A0 or nm
V V

Properties of matte r waves: waves associated with the material particles such as electron,
h
proton, etc., are called matter waves. The wavelength of matter waves is given by =
mv

1. Greater the mass of the particle, lesser the wavelength

2. Greater the velocity of the particle, lesser the wavelength

3. Wavelength is independent of charge of particle.

4. Particle does not exhibit wave nature and particle nature simultaneously

5. Velocity of the matter waves is greater than the velocity of light.

mc2 2
From Debroglie we have h = mc or = -------------- (1)
h

Let v1 be the velocity of matter waves, we know

h
v1 = or v1 = --------- (2)
mv

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 mc2 h
v1 =
h mv

c2
1
v = >c (v is velocity of the particle)
v

But experimentally it is not possible. Because particle does not exceed the velocity of light.

SCHRÖDINGER’S TIME INDEPENDENT WAVE EQUATION:

If particle has wave properties, it is expected that there should be some kind of wave
equation which describes the behavior of the particle.

Consider a system of stationary waves associated with a particle. Let x,y,z be the
coordinates of the particles and Ψ is the wave displacement for the Debroglie waves at any time
„t‟. The classical differential equation of a wave motion is given by

2 2 2 2

2
v2 2 2 2
= v2 2
------------ (1)
t x y z

2 2 2
2
Where = and v is the velocity of the wave.
x2 y2 z2

The solution of the equation (1) can be written as,

Ψ(x,y,z,t) = Ψ0 (x,y,z)e-iωt ------------(2)

Where Ψ0 (x,y,z) is a function of x,y,z and gives the amplitude at the point considered. Equation
(2) can also be expressed as

Ψ ( r, t ) = Ψ0 ( x, y , z ) e-iωt ------------- (3)

Differentiating equation (3) twice, we get

2

2
- ω2 Ψ0 (r) e-iωt
t

= - ω2 Ψ

Substituting this value in equation (1) , we get

- ω2 Ψ = v 2 2
Ψ

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 2
⇒ 2
Ψ+ = 0 ----------- (4)
v2

v 2
But ω = 2πn = 2π ⇒ =
v
2
4
∴ 2
Ψ+ 2
Ψ = 0 --------- (5)

h 1 m2 v2
Now from the Debroglie relation λ = or 2 =
mv h2

4 2 2 2
2
Ψ+ m v = 0 --------------- (6)
h2

If „E‟ and‟ V‟ be the total and potential energies of the particle respectively, then its kinetic
energy is given by

1
mv2 = E – V or
2

m2 v2 = 2m (E-V) ------------ (7)

From equations (6) and (7), we have

4 2
2
Ψ + 2 2m (E-V) Ψ = 0
h
2
8 m
2
Ψ+ 2
(E-V) Ψ = 0 ----------- (8)
h

Equation (8) is known as Schrödinger‟s time independent wave equation.

h
Put ℏ = , the above equation can also be expressed as
2

2m
2
Ψ+ (E – V) Ψ = 0 ----------- (9)
2
2
8 m
For free particle V = 0, ∴ 2
Ψ+ 2
EΨ = 0
h

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SCHRÖDINGER’S TIME DEPENDENT WAVE EQUATION :

If particle has wave properties, it is expected that there should be some kind of wave
equation which describes the behavior of the particle.

Consider a system of stationary waves associated with a particle. Let x,y,z be the
coordinates of the particles and Ψ is the wave displacement for the Debroglie waves at any time
„t‟. The classical differential equation of a wave motion is given by

2 2 2 2

2
v2 2 2 2
= v2 2
------------ (1)
t x y z

2 2 2
2
Where = and v is the velocity of the wave.
x2 y2 z2

The solution of the equation (1) can be written as,

Ψ(x,y,z,t) = Ψ0 (x,y,z)e-iωt ------------(2)

Where Ψ0 (x,y,z) is a function of x,y,z and gives the amplitude at the point considered. Equation
(2) can also be expressed as

Ψ ( r, t ) = Ψ0 ( x, y , z ) e-iωt ------------- (3)

Differentiating the above equation, we get

= Ψ0 e-iωt (-i )

E E
= (-i2 ) = (-i2 ) = i or
t h 


- =E
i t

i =E ----------- (4)
t

From the Schrödinger‟s time independent wave equation,

2m
2
(E – V) Ψ = 0
2

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 2m
2
(E – V) Ψ
2

2
- 2
+V Ψ = EΨ -------- (5)
2m

Substituting the value of E from equ.(4) into equ.(5), we get

2
- 2
+V Ψ = i  ---------- (6)
2m t

2 2
V = i or
2m t

2 2
H =E where H = V is called Hamiltonian which gives the total energy of the
2m
particle.

Equation (6) is called Schroedinger‟s time dependent equation which is applicable to

nonrelativistic particles.

PHYSICAL SIGNIFICANCE OF THE WAVE FUNCTION ‘Ψ’:

Max Born in 1926 gave a satisfactory explanation for the wave function „Ψ‟ associated with a
moving particle.

2
Born postulated that the square of the magnitude of the wave function or
*
if is complex represents the probability of finding the particle in the given region.

2
is called probability density and Ψ is probability amplitude. Thus the probability of the
2
particle within an element volume dxdydz (or) dV is dxdydz.

2
Since the particle is certainly somewhere in the given region, the integral of dxdydz over all
the space must be unity. i.e,

A wave function that obeys the above equation is called normalized. Every acceptable wave
function must be normalizable and should fulfill the following conditions:
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1. It must be finite every where

2. It must be single valued

3. It must be continuous and have a continuous first derivative every where

PARTICLE IN ONE DIMENSIONAL POTENTIAL BOX:

When a motion of a particle is confined to a limited region such

that the particle moves back and forth in the region, the particle
is said to be in bound state.

Consider a particle of mass „m‟ bouncing back and forth

between the rigid walls of a one dimensional box.

Suppose that a particle does not lose energy when it collides

with walls, so that its total energy remains constant. This box
can be represented by a potential well or box of width „a‟.

The potential energy „V‟of the particle is infinitely high beyond the wa lls, while inside the box
„V‟ is uniform.

This potential well can mathematically describe as:

V(x) = ∞ for x < 0 and x > a

= 0 for 0 < x <a

The uniform potential of the particle inside the box is taken as zero for simplicity.

From Schrodinger‟s wave time independent wave equation, we have

d2 8 2m
+ EΨ = 0 or (∵ V = 0 inside the box)
dx 2 h2

d2
2
+ k2 Ψ = 0 ------------ (1)
dx
2
8 m
Where k2 = 2
E ---------- (2)
h

The solution of the above equation is of the form

Ψ(x) = A sinkx + B coskx ----------- (3)

Where A and B are arbitrary constants can be obtained by applying the boundary conditions of
the problem.
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 (i) Ψ(x) = 0 at x = 0

(ii) Ψ(x) = 0 at x = a

From the first boundary condition, 0 = 0 + B ⇒ B = 0.

Hence Ψ(x) = A sinkx ---------- (4)

From the second boundary condition, 0 = A sinka (∵ already we got B=0)

If A sinka = 0, either A = 0 or sinka = 0.

n
A = 0 is not applicable. So sinka = 0, ka = nπ or k =
a

n2 2
K2 = ---------- (5)
a2

n x
∴ The solution can be written as Ψ(x) = A sin -------- (6)
a
2
8 m n2 2
From equations (2) and (5) E= or
h2 a2

n 2h2
En = ----------- (7) n= 1, 2, 3 …
8 a 2m

It is clear that inside the potential box, the particle can have discrete energy levels. That is the
energy of the particle is quantized.

Determination of constant „A‟ (by using normalization condition):

The wave function of the motion of the particle is

n x
Ψn = A sin for 0 < x< a
a

=0 for x < 0, x > 0

The probability of finding the particle in the box at some where is unity.
a
2
∴ ( x) dx = 1 or
0

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 a
n x
A 2 sin 2 dx = 1 or
0
a

a
n x
A2 sin 2 dx = 1 or
0
a

a
2 1 2n x
A 1 cos dx = 1 or
0
2 a

a
A2 2n x a
x sin =1 or
2 a 2n 0

A2 a
=1 or [ ∵ sin nπ = 0 for all n]
2

2
A=
a

2 n x
Ψ(x) = sin ------------- (8)
a a

Equation (8) gives the wave function of the particle enclosed in infinitely deep potential well.

The wave functions for the first three values of „n‟ are shown in figure.

OPERATORS IN QUANTUM MECHANICS:

2 2
Total Energy Operator: From Hamiltonian equation, H = V which gives total
2m
energy of the particle.

1 2 p2 2 2
Kinetic Ene rgy ope rator: Kinetic energy = mv = = ( p=mv)
2 2m 2m

p2 2 2 i
Velocity operator (v): = = (mv) 2 = -  2 2
or v = -
2m 2m m

Momentum operator: p = -i 

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QUBITS-CLASSICAL BITS:

In classical computers, data is stored in the form of a digital bit. Digital bits have only one
value: true or false, on or off, one or zero;

The silicon chip processes one calculation at a time, sequentially, and

information is processed in one direction only. Quantum computing, on
the other hand, uses atoms in place of traditional processors. Each bit of
information carried in quantum computers is called a „qubit‟, which can
represent 0, 1, and any value in between at the same time. In a graphical sense, a vector pointing
in a direction intermediate between those representing 0 and 1 represents the in-between position
known as superposition.

The linear combination of 0 and 1 ( ket 0 and ket 1) can be written as

=α 0 +β1

Where α and β are complex numbers, α = cos ; β = e i sin

2 2
2 2
α and β are constrained by the equation + =1

Physical representation of qubits:

Qubit 0 1

Photon: Linear polarization Vertical Horizontal

Photon: Circular polarization Left Right

1 1
Electron: Spin + -
2 2

Atom: Energy levels Ground state Excited state

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BLOCH SPHERE:

Bloch sphere is a sphere of unit radius and the state of a qubit is

geometrically represented by a vector in this sphere as shown in
figure.

A qubit can be in 0 or 1 or superposition of both states. These states

are represented by 0 and 1 .

The qubit obey the laws of quantum mechanics and is represented by

.

A classical bit could be only at the “North pole” or “south pole” of the sphere where the values
0 and 1 respectively. The rest of the surface of the sphere is inaccessible to the classical bit,
but qubit state can be represented by any point on the sphere surface.

= cos 0 + e i sin 1 --------- (1)

2 2

As shown in the figure „ ‟ is angle between the state vector and z-axis, is the projection of

Case i: For =0 and = 0;

0
= cos . 0 + (cos0 + isin0) sin 0 . 1 (from equ.(1))
2

=0 The state corresponding to 0 is along z-axis.

Caseii: For =0 and = 180; =.0 + 1. 1 = 1

The state corresponds to 1 is along –ve z-axis

If we consider = 900 , then the vector is in xy plane.

1
i) For = 900 , = ( 0 + i 1 ) is superposition state along +ve y-axis
2

1
ii) For = -900 , = ( 0 -i 1 ) is superposition state along - ve y-axis
2

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 1
iii) For = 00 , = ( 0 + 1 ) is superposition state along +ve x-axis
2

1
iv) For = 1800 , = ( 0 - 1 ) is superposition state along - ve x-axis
2

ADVANTAGES OF QUBITS:

Quantum Computation: Increase in Computing Power

Using quantum parallelism, a quantum computer can calculate or factor any huge number that is
currently difficult on a classical computer. For example, factoring a number with 400 digits will
take the existing fastest supercomputers billions of years to accomplish. A quantum computer
can obtain the answer within a year. Therefore, quantum computers capable of performing
difficult mathematical calculations that are impossible using semiconductor computers.

Quantum Cryptography: Advances in Security

Quantum cryptography allows two parties to exchange public keys in a private channel and thus
secure privacy in quantum communication. The quantum mechanics will not allow any
eavesdropper to obtain the private key. Two legitimate parties will reveal a random subset of the
key bits and check the error rate to test for eavesdropping. In so doing, even though
eavesdropping will not be prevented, any attempt, regardless how subtle and complicated, to
break into the communication channel will be detected.

Teleportation

Teleportation is the capabilities to make an object or a person disintegrate in one place while a
perfect replica (duplicate) appears in another. According to the uncertainty principle, the
duplicating process will disturb or destroy the original objects; the more an object is duplicated,
the more it is destroyed.

Artificial Intelligence :

The theories of quantum computation suggest that every physical object, even the universe, is in
some sense. Computers should be able to model every physical process. Ultimately this suggests
that computers will be capable of simulating conscious rational thought. And a quantum
computer will be the key to achieving true artificial intelligence

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HEISENBERG UNCERTAINTY PRINCIPLE:

According to Heisenberg it is impossible to determine the exact position and momentum of a

moving particle.

If △x denotes the error (uncertainty) in the measurement of the position of the particle along x-
axis and △p represents the error in the measurement of momentum, then

△x.△p = h ------------ (1)

Where h is plank‟s constant. The above equation represents the uncertainty involved in the
measurement of both the position and momentum of the particle.

In more optimized form the above equation can be written as

 h
(△x. △p) ≥ or ------------ (2)
2 4

If the time during which a system occupies a certain state is not greater than △t, then the energy
of the state cannot be known to within △E, where:


(△E) (△t) ≥ ----------- (3)
2

P.Srinivasa Rao

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I B.TECH APPLIED PHYSICS

Free Electron theory of metals

Classical free electron theory:
Merits:

1. This theory verifies ohm’s law.

2. This theory explains electrical conductivity and thermal conductivities of metals.

3. This theory explains optical properties of metals such as optical absorption, reflection and

opaque nature of metals etc.

Failures of classical free electron theory:

1. The phenomena such as photo electric effect, Compton Effect and black body radiation could not be
explained by classical free electro theory.
2. According to classical theory the value of specific heat of metals is given by 4.5R (R =Universal gas
constant) where as the experimental value is nearly 3R(Dulang Petit law)
3. Electrical conductivity of semiconductor or insulator could not be explained by using this model.
K
4. According to classical free electron model is constant.(Wide mann-franz law) as this not constant
T
at low temperatures.
5. Ferromagnetism could not be explained by this theory
6. According to classical free electron theory,
Resistivity
m m 3KT 1 3KTm
= = 2 =
ne  c ne
2
m  ne 2 

= T

But according to experiments  T

QUANTUM FREE ELECTRON THEORY:

Somerfield applied quantum mechanics to explain conductivity phenomenon in metals. He has improved
the Drude- Lorentz theory by quantizing the free electron energy and retaining the classical concept of
force motion of electrons at random.

ASSUMPTIONS

1. The electrons are free to move with in the metal like gaseous molecules. They are confined to the metal
due to surface potential.

2. The velocities of electrons obey Fermi-Dirac distribution because electrons are spin – half particles.

3. The electrons would go into different energy levels and obey Pauli’s exclusion principle.

4. The motion of the electron is associated with a wave called matter wave, according to the deBroglie
hypothesis.

5. The electrons can not have all energies but will have discrete energies according to the equation
n2h2
En = where a is the dimension of the metals.
8ma 2

SRI MITTAPALLI COLLEGEOF ENGINEERING::TUMMALAPALEM 1

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I B.TECH APPLIED PHYSICS
Derive an expression for electrical conductivity by using quantum free electron theory

According to Quantum theory

p = mv = K -----(1)
h 2
Where = , K=
2 
Differentiating equation (1) w.r.t to t
dv dK
a= =
dt m dt
At equilibrium the lorentz force F = −eE acting on the electron is equal and opposite to the product of
mass and acceleration of the electron
i.e.

eE = ma
dK
m = eE
m dt

eE
 dK = dt ---(2)
Integrating (2) between the limits 0 and t

t t
eE
 dK = 
0 0
dt

eE
K (t ) − K (0) = t

eE
K = tc where tc =men collision time.

K
But J = nev and v =
m

K eE eEt
v = = t=
m m m

ne 2 Et
J =
m*
From microscopic form of Ohm’s law

J =E

ne 2t
 = This is the expression for the electrical conductivity.
m*
FERMI DIRAC DISTRIBUTION:
In quantum theory different electrons occupy different energy levels at O`K. Electrons obey Pauli’s
exclusion principle. As the electrons receive energy they are excited to higher levels which are
unoccupied at O K. The occupation of electrons obeys Fermi-Dirac distribution law. The particles that
obey Fermi-Dirac distribution law are called Fermions.

SRI MITTAPALLI COLLEGEOF ENGINEERING::TUMMALAPALEM 2

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I B.TECH APPLIED PHYSICS
The Fermi-Dirac distribution function at a temperature T is given by

1
f (E) = ( E − E f )/ KT
e +1

Where E f = Fermi energy, f ( E ) =the probability that a state of energy (E) is filled.

n2h2
(I) At T=O K for E  E f E=
8ma 2

1
f (E) = 
=1
e +1

This means that all the energy state below E f are filled.

For E  E f

1
f (E) = 
= 0 Means that all the energy levels above E f are empty.
e +1
From this we define Fermi level as it is the level at 0K below which all the levels are filled and above
which all the levels are empty or it is the highest occupied state at 0K

(2) At T>0 and E = E f

1 1
f (E) = =
1+1 2
Fermi level is the state at which the probability of electron occupation is ½ at any temperature.

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I B.TECH APPLIED PHYSICS
FERMI ENERGY:

The no. of available electrons per unit volume in metal is given by

EF

n=  F ( E ) Z ( E )dE ---------- (1)

0

where F(E) is probability of occupation of electrons in energy level with energy E

Z(E) is available energy states per unit volume

  8m 
EF 1
1 2

n=   E − EF
  E
 2  h2 
2
dE
0
1 + exp 
 K BT 

In metal at T = 0k, E<EF, F(E) = 1

  8m 
EF 1

n=  2  h
0
2  E dE

2

  8m  1 EF 1

=  E
2  h2 
2
E
0
2
dE

EF
 3 
  8m   E 2 1 

=  2 E 2
2h   3 
 
 2 0

  8m 
1 3

=  E 2
E 2
F
3  h2 

− 32
3n  8m 
 
3
Or E F 2
=
  h2 
2 3
 3n  h2
EF =  
  8m

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