Physical Electronics I: Introduction To Quantum Mechanics

Physical Electronics I
Introduction to quantum mechanics
Dr.-Ing. Wilfred Mwema
University of Nairobi
May 2014
Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 1 / 41

Briey speaking ...
Principles of classical or newtonian mechanics fail for physical

processes involving very short lengths or very low energy
Newtonian mechanics allows continuous energy distribution among
particles and continuous spatial distribution of matter e.g. tea in a
teacup
Quantum mechanics treats these distributions as discrete w.r.t.
Position
Energy
Angular momentum, etc.

Classical mechanics
Bound electrons in an atom hence have discrete energy and spatial

distribution that exhibits distinct maxima and minima
Quantum mechanics does not contradict classical mechanics however
- results from both tend to converge as energy increases in the
classical limit
This is referred to as Bohrs correspondence principle

Classical mechanics
Instantaneous state of a particle is complete specied by

Its position, (x (t ) , y (t ) , z (t )) or (r (t ) , (t ) , (t ))
Its momentum, (px (t ) , py (t ) , pz (t )) or pr (t ) , p (t ) , p (t )
These quantities are referred to as the state variables of the particle

Classical mechanics
We consider only one spatial dimension say, x (t ), i.e. a particle with

motion constrained to the x-axis of the Cartesian coordinate system
The position and momentum are thus x (t ) and p (t ) = px (t )
For a particle of mass m, we can write
d
p (t ) = mv (t ) = m x (t )
dt

Classical mechanics
It is also desirable to know the time evolution of the particle position

and momentum
These are supplied by Newtons rst and second laws of motion
First law: momentum of a particle is a constant in the absence of external
forces acting on the particle
Hence
d
x (t ) = const
p (t ) = m
dt
Second law: force acting on a particle of mass m is proportional to the
time rate of change of momentum
d d2
f = p (t ) = m 2 x (t )
dt dt
Newtons second law of motions forms the basis for the introduction
of work and energy
Classical mechanics
Work done by a particle moving along the x-axis from 0 to x by

means of a force f (x ) acting on it, is dened as
Zx

W (x ) = f (x ) dx
0
If particle energy increases, the value of the integral is positive

The energy of the particle can be
Purely potential, U (x )
Purely kinetic, Ek
A combination of both kinetic and potential energy

Classical mechanics
When the total energy is purely potential, then W (x ) = U (x ) and

d
f (x ) = U (x )
dx
For a purely kinetic total energy,
Zx
d2
W (x ) = Ek = m x (t ) dx
dt 2
0
We have
d2 d d d d dx dv
2
x (t ) = x (t ) = x (t ) =v
dt dt dt dx dt dt dx
Thus Z Z
dv 1 2 p2
W (x ) = mv dx = mvdv = mv =
dx 2 2m
Classical mechanics
If no external forces act on the particle, total energy is constant and
is the sum of kinetic and potential energy - conservation of energy
p2
E = Ek + U (x ) =
+ U (x )
2m
The newtonian formulation can be expressed in the Hamiltonian
formulation based on the particle energy
The Hamiltonian function H (x, p ) is dened for the total particle
energy of a system as
p2
H (x, p ) = + U (x )
2m
Partial derivatives of the Hamiltonian function w.r.t. x and p are then
d
H (x, p ) = U (x )
x dx
p
H (x, p ) =
p m
Classical mechanics
From
d
p=m x (t )
dt
we have
d
x (t ) = H (x, p )
dt p
Similarly, from
d d
f = U (x ) = p (t )
dx dt
we have
d
p (t ) = H (x, p )
dt x

Quantum mechanics - QM
Two important characteristics of classical mechanics

Continuous nature of particle position and momentum - particle can
assume any non-relativistic momentum and position
Deterministic nature of time dependent processes - depends only on
the initial conditions
Physical processes are however not deterministic in the mathematical
sense
Temperature depedence of black body radiation spectrum observed in
experiments exhibits equal intensity I () (W /m2 ) for all black
bodies at same temperature
This is supported by thermodynamic arguments

Plancks theory of black-body radiation: A recap
Rayleigh-Jones relation based on the laws of mechanics,
electromagnetic theory and statistical thermodynamics is of the form
2
I () = kT

where k = R/NA = 1, 38 10 23 J/K is Boltzmann constant and T
is black body absolute temperature in K
Relation is valid only for long-wavelength radiation and breaks down
as ! 0 - the ultraviolet catastrophy
Plancks theory postulated that oscillating atoms of a black body
radiate energy only in discrete quantities (quanta) such that
2 2
E = }, 2}, . . . = }c , 2}c ,...

where h = 6, 626 10 34 Js is Plancks constant and
h
}=
2
Plancks theory of black-body radiation: A recap
Plancks formula for black body radiation is hence of the form

1
4 }c 2 2 }c
exp 1
5 kT
which is in agreement with experimental observations

The intensity peaks at wavelengths given by Wiens law
Imax T = const = 2880 mK
This predicts that the wavelength of maximum intensity shifts toward

the blue region of the spectrum with increasing temperature
At Imax ,
hc
Emax = = 4, 98kT
Imax
i.e. nearly ve times the thermal energy
Postulate of QM
QM focuses on the complex wave function (x, y , z, t )

We consider a one-dimensional wave function (x, t ) and its
conjugate (x, t )
These provide a concrete meaning in the macroscopic physical world
In QM, (x, t ) (x, t ) is interpreted as the probability that a
particle is to be found in the interval between x and x + dx - Max
Borns interpretation
(x, t ) is the QM description of the particle and (x, t ) (x, t )
hence referred to as the QM window to the real world
Unlike classical mechanics based on dynamic variables, QM is based
on operators

Postulate of QM
We saw that the classical dynamic variables include the time varying
particle position, x (t )
particle momentum, px (t )
particle total energy, E
In QM, these are replaced by operators that operate on (x, t )
QM postulates cannot be proven or deduced - these are hypotheses
that become axioms (non-provable truths) when they do not
contradict nature (experiment)

First postulate of QM
Temporal and spatial evolution of a QM particle described by a complex

wavefunction
(x, t ) describes the temporal and spatial evolution of a QM particle
(x, t ) is hence a QM description of a particle with one degree of
spatial freedom

Second postulate of QM
The square of the magnitude of the wavefunction is related to the

probability of locating a particle in space
(x, t ) (x, t ) is the probability density function of a QM particle
and (x, t ) (x, t ) dx is then the probability that the particle is to
be found between x and x + dx
This means that
Z
(x, t ) (x, t ) dx = 1

i.e. the particle will be found somewhere in space

When (x, t ) satises this integral, it is said to be a normalised wave
function
Hence, this integral is referred to as the normalisation condition

Third postulate of QM
The wavefunction and its rst spatial derive are continuous functions of
the spatial coordinates
(x, t ) and its rst spatial derivative are continuous functions of the
spatial coordinates in an isotropic medium
This means that
lim (x, t ) = (x0 , t )
x !x 0
and

lim (x, t ) = (x, t ) jx =x0
x !x0 x x
Hence, (x, t ) is continuous and continuously dierentiable
throughout an isotropic medium
(x, t ) is single-valued and nite throughout space, i.e. all x in the
1-D case

Fourth postulate of QM
Operators on the wavefunction replace the classical dynamic variables

Operators acting on (x, t ) are compared to the dynamic variables
of classical mechanics
dynamic variable classical variable QM operator

position x x (multiply by)
}
momentum p = mv j x (dierentiate)
2
p2 1 }
kinetic energy Ek = 2m 2m j x (dierentiate)
potential energy U (x ) U (x ) (deerentiate)
2
p2 1 } }
total energy E = 2m + U (x ) 2m j x + U (x ) = j t

Fourth postulate of QM
Recall the hamiltonian equation is of the form
p2
+ U (x ) = E
2m
Thus, using the QM operators acting on (x, t ), we have
( )
1 } 2 }
+ U (x ) (x, t ) = (x, t )
2m j x j t
or
} 2 }
(x, t ) + U (x ) (x, t ) = (x, t )
2m x 2 j t
where
2
2
)
x x 2
since this is an operator
This the 1-D Schrdinger wave equation
Fifth postulate of QM
Expected values of dynamic variables obtained through operations on the

wavefunction
The expected value (average value or ensemble average) of a dynamic
variable is calculated from the wave function as
Z
h i = (x, t ) op (x, t ) dx

where op is the appropriate operator of the dynamic variable

This allows computation of important average values of quantities
such as position, momentum, energy etc.

Applications of the ve postulates of QM
The ve postulates of quantum mechanics summarise the principles of

QM and have severe implications on the interpretation of macroscopic
physical processes
QM smoothly merges with classical mechanics for macroscopic
physical processes - Bohrs correspondence principle
We assume (x, t ) can be seperated into a spatial and time function
as (x, t ) = (x ) (t ) and assume a time harmonic dependence of
the form (t ) = exp (j t )
Hence, we can write
(x, t ) = (x ) exp (j t )
where (x ) is a stationary function of the spatial coordinate

Suppose
(x, t ) = (x ) (t ) = (x ) exp (j t )
where
E
=
}
is the radian frequency of the wavefunction
Then if
(x ) = A f1 + cos x g , jx j <
= 0, jx j

We determine A from the second postulate as

Z Z
(x ) (x ) dx = A 2
f1 + cos x g2 dx

Z 2
1 1
= A2 1 + 2 cos x + + cos 2x dx = 1
2 2

or r
1
A=
3
Hence
r
1
(x ) = f1 + cos x g , jx j <
3
= 0, jx j
The potential energy of the particle is minimum at x = 0

A particle placed in such a potential thus experiences a force that
attracts it to toward this minimum
The wave function is hence localised around the position of minimum
potential energy

From the fth postulate, the expected position of the particle is given
by
Z
hx i = (x ) x (x ) dx

Multiplication of (x ) by x makes it an odd function of x and since

(x ) is an even function, then the integrand is odd
The integral between symmetrical limits is zero and hx i = 0
This means that the probability of nding the particle at x = 0 is
highest for all time

The spread of the wave function about the position of maximum

probability is given by the standard deviation of the position, i.e.
q
x = hx 2 i hx i2
We have
Z
2 2 5
x = (x ) x 2 (x ) dx =
3 2

Thus r
q
2 5
x = hx 2 i =
3 2
since hx i = 0

The expected value of particle momentum is given by

Z
}
h px i = (x ) (x ) dx = 0
j x

Hence, the particle has no net momentum and remains spatially

localised at the same position - consistent with a stationary wave
function

When (x ) and U (x ) are known, we can write
Z
}2 2
hEk i = (x ) (x ) dx
2m x 2

Z
hU (x )i = (x ) U (x ) (x ) dx

and
Z
}2 2
hE i = hEk i + hU (x )i = (x ) + U (x ) (x ) dx
2m x 2


Example problem
Example: The wavefunction of a particle is given as

(x ) = A cos kx, < kx <
2 2
= 0, otherwise
where
2
k=

is the wavenumber. Determine
(a) The spread of the wavefunction about the most probable
position
(b) The mean square value of particle momentum

Example problem
Solution:
(a) We have
Z
/2
A2
cos2 kxd (kx ) = 1
k
/2
or
A2 kx 1 /2
+ sin 2kx =1
k 2 4 /2
or r

A=
2

Example problem
Solution:
Z
/2
kx
hx i = cos2 kxd (kx )
2k k
/2
Z
/2
kx kx
= + cos 2kx d (kx )
2k 2 2 2
/2
" !#/2
(kx )2
= =0
2k 2 4
/2

Example problem
and
Z
/2 2
2 kx
hx i = cos2 kxd (kx )
2k k
/2
Z
/2 !
(kx )2 (kx )2
= + cos 2kx d (kx )
2k 3 2 2
/2
" ! #/2
(kx )3 1 1 3 1
= cos 2kx = +
2k 3 6 4 2k 3 3 2 2
/2

de Broglie matter waves
According to Einstein, a photon has a relativistic mass such that
E = mc 2
With the energy of a photon given by
E = hf
then
hc
mc 2 = hf =

or
h
mc = p =

is the momentum of the photon

By analogy, de Broblie postulated that the momentum of a classical

particle of mass m moving with velocity v could also be written as
h
mv = p =

or
h h
= =
p mv
where is called the de Broglie wavelength for the matter wave
Strictly, m is the mass of the particle at rest with a relativistic
correction
The correction is negligible for particles with low momentum and a
nite rest mass

Example: de Broglie matter waves
Example: What is the de Broglie wavelength for an electron that has been
accelerated through a potential eld of 100 V ?
Solution:
We assume the electron is moving with a velocity v << c. Thus
pn2 p
Ek = ) pn = 2mn E
2mn
The electron gains an electrostatic potential energy
17
U = qV = 1, 602 10 J
Hence
24 1
pn = 5, 403 10 kgms
and
h
=
0, 1226 nm
p
which is roughly of the same order of magnitude as the interatomic
separation in a crystal
The total energy of a classical particle of mass m moving with a

velocity v is given by the Hamilitonian
p2
E = +U
2m
where U is the potential energy in the environment in which the
particle is moving
Hence
h
= p
2m (E U)
in general
The wavelength of a particle with constant total energy
(conservative) will therefore change as the particle moves through
regions with dierent potential energy

Heisenbergs uncertainty principle
Particular pairs of observables referred to as complementary pairs

cannot be determined simultaneously to an arbitrary precision in QM
Example complementary pairs include
momentum - position
Energy - time, etc

The de Broglie wave for a particle is a superposition of innitely many
waves of the form
2 E
(x, t ) = A sin (t kx ) , k = , = 2f =
}
where (x, t ) now referred to as a wave packet
By use of Fourier integral methods, it can be shown that for wave
motion of any type
k 1 1
x = x
2 4
and
1
tf =
4
x is the spread of the wave packet in space, k is the range of
reciprocal wavelength, f is the range of frequencies and t is a
measure of the time the wave packet requires to go past a given point
in space
The s should be understood as standard deviations
From de Broglies relation, the wavelength of an x-directed particle is
given by
1 px
=
h
Thus
px 1
x
h 4
or
}
x px
2
From Einsteins relation,
E 1
t
h 4
or
}
tE
2
Heisenbergs uncertainty principle puts a limit on the precision with
which
particle position can be determined when particle momentum is known
- particle position and its momentum cannot be determined
simultaneously
time required to determine the energy with arbitrary precision - innite
observation time will be required for this!
Suppose x = 0, 1 nm, then for a free electron,
}
px
2x
or
px 5, 272 10 25 kgms 1
and
px
vx
mn
or
vx 5, 79 105 ms 1

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Physical Electronics I

Introduction to quantum mechanics

Dr.-Ing. Wilfred Mwema

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 1 / 41

Principles of classical or newtonian mechanics fail for physical

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 2 / 41

Bound electrons in an atom hence have discrete energy and spatial

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 3 / 41

Instantaneous state of a particle is complete specied by

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 4 / 41

We consider only one spatial dimension say, x (t ), i.e. a particle with

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 5 / 41

It is also desirable to know the time evolution of the particle position

Work done by a particle moving along the x-axis from 0 to x by

If particle energy increases, the value of the integral is positive

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 7 / 41

When the total energy is purely potential, then W (x ) = U (x ) and

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 10 / 41

Two important characteristics of classical mechanics

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 11 / 41

Plancks formula for black body radiation is hence of the form

which is in agreement with experimental observations

Imax T = const = 2880 mK

This predicts that the wavelength of maximum intensity shifts toward

QM focuses on the complex wave function (x, y , z, t )

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 14 / 41

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 15 / 41

Temporal and spatial evolution of a QM particle described by a complex

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 16 / 41

The square of the magnitude of the wavefunction is related to the

i.e. the particle will be found somewhere in space

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 17 / 41

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 18 / 41

Operators on the wavefunction replace the classical dynamic variables

dynamic variable classical variable QM operator

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 19 / 41

Expected values of dynamic variables obtained through operations on the

where op is the appropriate operator of the dynamic variable

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 21 / 41

The ve postulates of quantum mechanics summarise the principles of

where (x ) is a stationary function of the spatial coordinate

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 22 / 41

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 23 / 41

We determine A from the second postulate as

The potential energy of the particle is minimum at x = 0

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 25 / 41

Multiplication of (x ) by x makes it an odd function of x and since

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 26 / 41

The spread of the wave function about the position of maximum

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 27 / 41

The expected value of particle momentum is given by

Hence, the particle has no net momentum and remains spatially

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 28 / 41

When (x ) and U (x ) are known, we can write

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 29 / 41

Example: The wavefunction of a particle is given as

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 30 / 41

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 31 / 41

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 32 / 41

Dr.-Ing. Wilfred Mwema (UoN) Introduction to quantum mechanics 05/17 33 / 41

According to Einstein, a photon has a relativistic mass such that

With the energy of a photon given by