Quantum Mechanics

SREEKANTH K M
Department of Sciences

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 Contents

1. Introduction
2. de- Broglie waves
3. Uncertainty principle
4. Wave function
5. Postulates of Quantum Mechanics
6. Wave equation
7. Schrödinger equation(time dependent)
8. Expectation values
9. Operators
10. Schrödinger equation(Steady state)
11. Eigenvalues and eigenfunctions
12. One dimensional potential well (particle in a box)
13. Finite potential well
14. The Tunnel Effect

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Schrödinger equation (Steady state)
In many situations the potential energy (U) of a particle does not depend on time
explicitly; the forces that act on it, and hence U, vary with the position of the particle
only. Such case, Schrödinger’s equation may be simplified by removing all reference to
t. The one-dimensional wave function Ѱ of an unrestricted particle may be written as

Ѱ is the product of a time-dependent function and a position ψ dependent

function. Substituting the above value of Ѱ into the time-dependent form of
Schrödinger’s equation,

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 Expectation Values
To relate a quantum mechanical calculation to something you can observe
in the laboratory, the "expectation value" of the measurable parameter is
calculated. For the position x, the expectation value is defined as

But is the probability that the particle exists somewhere between x=+∞

and x=-∞ and therefore has the value 1.

This integral can be interpreted as the average value of x that we expect to obtain from
many measurements. Alternatively, it could be viewed as the average position value for
many particles described by the same wave function. For example, the expectation
value of the radius of the electron in the ground state of the hydrogen atom is the
average value you expect to obtain from making the measurement for a large number of
hydrogen atoms.
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Expectation Values……………

The same procedure as that followed above can be used to obtain the expectation
value G(x) of any quantity—that is a function of the position x of a particle
described by a wave function Ѱ. The result is

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Expectation Values of Momentum and energy of a free particle

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Eigenvalues; eigenfunctions and eigenvalue equation

The time independent Schrödinger Equation is an example of an Eigenvalue equation.

i.e., the Hamiltonian operator ( ) operates on the wave function Ѱ to produce the
energy En (it is a number and quantity of Joules) times the wave function Ѱ. Such an
equation, where the operator, operating on a function, produces a constant times the
function, is called an eigenvalue equation. The function is called an eigenfunction,
and the resulting numerical value is called the eigenvalue. Eigen is the German word
meaning self or own.

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The application of the one-dimensional (1D) Schrödinger wave equation to a free particle is a
fundamental concept in quantum mechanics. Here's a scientific and logical analysis of this
application:
Schrödinger Wave Equation for a Free Particle
The Schrödinger wave equation in one dimension is given by:

Characteristics of a Free Particle

•No Potential Energy: The potential energy V(x) is zero for a free particle. This simplifies the
equation since the term involving potential energy is absent.
•Wave Function: The wave function describes the quantum state of a particle, encompassing
its position and momentum probabilities.

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Solutions to the Equation
•Plane Wave Solution: A common solution for a free particle is a plane wave of the
form: the potential energy V(x) is zero for a free particle

Implications and Applications

•Wave-Particle Duality: This concept illustrates the dual nature of matter,

showing that particles can exhibit both wave-like and particle-like properties.

•Quantum Mechanics Foundation: The free particle solution is a building block

in quantum mechanics, helping to understand more complex systems with
potentials.

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One dimensional potential well (particle in a box)
{The simplest quantum-mechanical problem}

The particle’s motion is restricted to traveling along the x axis between x = 0 and x = L
by infinitely hard walls. A particle does not lose energy when it collides with such
walls, so that its total energy stays constant. The potential energy U of the particle is
infinite on both sides of the box, while U is a constant—say 0 on the inside. Because
the particle cannot have an infinite amount of energy, it cannot exist outside the box,
and so its wave function is 0 for x ≤ 0 and x ≥ L.

A square potential well with infinitely high

barriers at each end corresponds to a box with
infinitely hard walls.

, since U = 0 ………..(1)

(The total derivative is the same as the partial derivative because Ѱ is a function only of x in
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this problem.)
particle in a box……………..

Equation (1) has the solution

….............(2) A and B are constants
to be evaluated.

This solution is subject to the boundary conditions that Ѱ = 0 for x = 0 and for x =
L. Since cos0 = 1, the second term cannot describe the particle because it does not
vanish at x = 0. Hence we conclude that B = 0. Since sin0 = 0, the sine term always
yields Ѱ = 0 at x = 0, as required, but Ѱ will be 0 at x = L only when
The sines of the angles
….............(3) π, 2π, 3π, . . . are all 0.

From Eq. (3) it is clear that the energy of the particle can have only certain values,
which are the eigenvalues. These eigenvalues, constituting the energy levels of the
system, are found by solving Eq. (2) for En, which gives
The energy of a trapped particle is quantized

.......(3) Or .......(4)

Each permitted energy is called an energy level, and the integer n that specifies an
energy level En is called its quantum number. 11
particle in a box……………..
Wave Functions
The wave functions of a particle in a box whose energies are E n are, from Eq. (2) with
B=0
.....................(5)

Substitute Eq. (4) for En in Eq. (5) .....................(6)

Eq. (6) is the eigenfunctions corresponding to the energy eigenvalues E n.
The probability (P) of finding it between x=0 and x=L (since the particle is confined
within these limits) is given by

.....................(7)
If is to equal Pdx, the probability of finding the particle between x and (x + dx),
then .....................(8)
From Eqs. ((7) and (8), the wave functions .....................(9)
of a particle in a box are normalized if 12
particle in a box……………..
Therefore the normalized wave functions of the particle in a box is

.....................(10)
Ѱn may be negative as well as
positive, is never negative and,
since n is normalized, its value at a
given x is equal to the probability
density of finding the particle there. In
every case = 0 at x = 0 and x = L,
the boundaries of the box.
At a particular place in the box the
probability of the particle being
present may be very different for
different quantum numbers. A particle
in the lowest energy level of n = 1 is
most likely to be in the middle of the
box, while a particle in the next
higher state of n = 2 is never there.
Classical physics suggests the same
(a) Wave functions and (b) probability densities of probability for the particle being
a particle confined to a box with rigid walls. anywhere in the box. 13
(resemble the possible vibrations of a string fixed at both ends)
particle in a box……………..
Momentum
The expectation value of momentum of a particle trapped in a one-dimensional box is

..................(11)

The ± sign denote: the particle is moving back and forth, and so its average momentum
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for any value of n is zero which is the expectation value.
particle in a box……………..
i.e.,
From Eq. (11) there should be two momentum eigenfunctions for every energy
eigenfunction, corresponding to the two possible directions of motion.
The general procedure for finding the eigenvalues of a quantum-mechanical operator
( ) is given below
The momentum eigenvalue equation is ..................(12)

where each pn is a real number. This equation holds only when the wave functions n are
eigenfunctions of the momentum operator and is

The energy eigenfunctions are not also momentum eigenfunctions because

To find the correct momentum eigenfunctions, we note that

Hence each energy eigenfunction can be expressed as a linear combination of the

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two
wave functions
particle in a box……………..

..................(13)

..................(14)

Substituting the first of these wave functions (Eq. 13) in the eigenvalue equation, Eq.
(12), we have

..........................(15)

.........................(16)

So, are indeed the momentum eigenfunctions for a particle in a box, and
that Eq. (5.11) correctly states the corresponding momentum eigenvalues. 16
FINITE POTENTIAL WELL

Potential energies are never infinite in the real world, and the box with infinitely hard
walls has no physical counterpart. However, potential wells with barriers of finite
height certainly do exist.

Figure shows a potential well with square corners

that is U high and L wide and contains a particle
whose energy E is less than U. According to
classical mechanics, when the particle strikes the
sides of the well, it bounces off without entering
regions I and III. In quantum mechanics, the particle
also bounces back and forth, but now it has a certain
probability of penetrating into regions I and III even
though E < U.

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FINITE POTENTIAL WELL…………………

………..(1)

………..(2)

………..(3)
………..(4)

………..(5) ………..(6)
These wave functions decrease exponentially inside the barriers at the sides of the well.
Within the well Schrödinger’s equation and its solution is same as Particle in a Box and
is given below

………..(7)

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FINITE POTENTIAL WELL…………………

In the case of a well with infinitely high

barriers, we found that B = 0 in order that
Ѱ = 0 at x = 0 and x = L. Here = C at
x = 0 and = G at x = L, so both
the sine and cosine solutions of Eq. (7) are
possible.
For either solution, both Ѱ and its first
derivative must be continuous at x = 0 and
x = L. When these boundary conditions
are taken into account, the result is that
exact matching only occurs for certain
specific values En of the particle energy.
The complete wave functions and their
probability densities are shown in Fig.

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Tunnel Effect

Consider a particle that strikes a

potential barrier has a finite
width of height U, with E < U.
The particle has a certain
probability of passing through
the barrier and emerging on the
other side. The higher the barrier
and the wider it is, the less the
chance that the particle can get
through.
Notably, the tunnel effect occurs
in the following cases:
 alpha particles emitted by
certain radioactive nuclei
 operation of certain
When a particle of energy E < U approaches a potential
semiconductor diodes in
barrier, according to classical mechanics the particle
which electrons pass through
must be reflected. In quantum mechanics, the de
potential barriers even though
Broglie waves that correspond to the particle are partly
their kinetic energies are
reflected and partly transmitted, which means that the
smaller than the barrier
particle has a finite chance of penetrating the barrier. 20
heights.
Tunnel Effect……………..

Consider a beam of identical particles all of which have the kinetic energy E. The beam
is incident from the left on a potential barrier of height U and width L, as in Fig. On
both sides of the barrier U = 0, which means that no forces act on the particles there.
The wave function represents the incoming particles moving to the right and

represents the reflected particles moving to the left; represents the transmitted
particles moving to the right. The wave function represents the particles inside the
barrier, some of which end up in region III while the others return to region I. The
transmission probability T for a particle to pass through the barrier is equal to the
fraction of the incident beam that gets through the barrier. Its approximate value is
given by

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THANK YOU
THANK YOU

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