Physical Chemistry -I
Assignment#1
Sidra Nazeer Saif F2018067016 N1
Prof. Sohail Nadeem
Department of Chemistry
[Link].2018
UNIVERSITY OF MANAGEMENT AND TECHNOLOGY.
Normalization And Orthogonality Of
Wave Functions:
Assignment Overview:
Orthogonality
of wave
Normality of functions
wave function
Wave
Function
Introduction
to Quantum
Mechanics
Quantum Mechanics
Introduction
Quantum Mechanics explains the nature and behavior of matter and energy on
the atomic and subatomic level and rationalizes the basis for the understanding
of micro-particles.
Importance:
By knowing the internal structure, Many Physical and chemical properties of
atoms and molecules may be predicted. Using Quantum mechanics, one may
predict the probable location or Momentum of the subatomic Particle. It also
describes the behavior of matter and energy on the scale of atoms and
subatomic particles / wavesI
Wave Function:
A wave function is defined to be a function describing the
probability of a particle's quantum state as a function of
position, momentum, time, and/or spin. Wave functions are
commonly denoted by the variable Ψ.II
A wave function in quantum physics is a mathematical
description of the quantum state of an isolated quantum
[Link] The wave function ψ is not an observable quantity. It
manifests itself only on the statistical distribution of particle
detection.
Applications of Wave function:
A wave function may be used to describe the probability of finding an electron
within a matter wave. To do this, the wave function, which may include an
imaginary number, is squared to yield a real number solution. Then, the
probability of an electron being within a certain area can be assessed. The
famous Schrodinger equation introduced the wave function concept in 1925. It
also explains the wave characteristics of a particle. The value of the wave
function of a particle at a given point of space and time is related to the
likelihood of the particle's being there at the time..The wave function of a
particle, at a particular time, contains all the information that anybody at that
time can have about the particle probability of finding it anywhere should be
one.
Normalization of wave function
Introduction:
A wave function simply predicts the location or probable behavior of an electron around the
nucleus. Probability is a real number between 0 and 1. An outcome of a measurement which
has a probability 0 is an impossible outcome, whereas an outcome which has a probability 1
is a certain outcome. A wave function must be normalized before it is applied to subatomic
particles.
Normalization is the scaling of wave functions so that all the probabilities add to 1. The
probabilistic description of quantum mechanics makes the best sense only when probabilities
add to 1. A normalized wave function would be said to be normalized
if If it is not 1 and is instead equal to some other constant, we incorporate
that constant into the wave function to normalize it and scale the probability to 1 again
Mathematical Derivation:
According to born the probability of finding a particle is represented by ΨΨ*
dxdydz in a volume element dxdydz. If the probability for a particle having wave
function Ψ were evaluated over the entire space in which the particle exists
then the probability should be equal to 1 or 100%. Mathematically it can be
stated as
∞
∫ ΨΨ ∗ dxdydz = 1
−∞
∞
∫−∞ ΨΨ ∗ dτ = 1
Where the integral of the wave function times its complex conjugate over the
entire space available would be equal to unity, then the wave function is said to
be normalized and this condition is called normalization of waves.
Example:
𝜋𝑥
Let us assume that a wave function for a system exists and Ψ(x)=sin where x
2
is the only [Link] the region of interest is from x=0 to x=1 then
normalization of wave function may be carried out as below:
1
∫ ΨΨ ∗ dx = 1
0
Let us assume that Ψ is multiplied by some constant A
Ψ AΨ
Substituting into the integral, we get
1 1
𝜋𝑥 𝜋𝑥
∫ (AΨ)(AΨ ∗)dx = ∫ 𝐴𝐴 ∗ (sin ) (sin ) ∗ 𝑑𝑥
0 0 2 2
Since A is a constant it can be pulled out of the integral and since the function is
a real function , the * has no effect on function. Therefore we get
1 1
𝜋𝑥 𝜋𝑥 𝜋𝑥
∫ 𝐴𝐴 ∗ (sin ) (sin ) ∗= 𝐴 ∫ (sin2 )𝑑𝑥
2
0 2 2 0 2
Normalization requires this expression equal to 1:
1
𝜋𝑥
𝐴 ∫ (sin2
2
)𝑑𝑥 = 1
0 2
𝑥 1
Since∫ sin2 𝑏𝑥𝑑𝑥 = − 𝑠𝑖𝑛2𝑏𝑥
2 4𝑏
𝜋
In this case 𝑏 = evaluating the integral between limits:
2
𝑥 2 2𝜋𝑥 1
𝐴2 [ − sin2 ] =1
2 4𝜋 2 0
𝑥 2 1
𝐴2 [ − sin2 𝜋𝑥] = 1
2 4𝜋 0
𝑥 1 1
𝐴2 [ − sin2 𝜋𝑥 ]
2 2𝜋 0
1
𝐴2 ( ) = 1
2
𝐴 = √2
Hence the correctly normalized wave function is
𝜋𝑥
Ψ(x) = √2(sin )
2
Significance of Normalization of Wave Function
It is a necessity to normalize the wave function. We must choose an
arbitrary multiplicative constant in such a way, so that if we sum up all
possible values ∑|ψ(xi,t)|2∆xi we must obtain 1. The total probability of
finding the particle anywhere must be one. (The area under the curve
|ψ(x,t)|2 must be 1.)IV
Normalization of ψ(x,t): : is the probability density for finding the particle
at point x, at time t. Because the particle must be found somewhere
between x=-∞ and x=+∞ the wave function must obey the normalization
condition Without this, the statistical interpretation would be
meaningless.
Orthogonality of wave function
Any two wave functions Ψn and Ψm corresponding to the energy values En and
Em are orthogonal if, and only if, said integral is zero.
∞
∫−∞ ΨnΨm dτ = 0
And this condition Is called orthogonality of wave functions.
orthogonality is a not a property of a single wave function. It either refers to a
pair of them being orthogonal to each other in general, to a set of them, being
all mutually orthogonal to each other.
Orthonormal wave functions:
The sets of wave functions, which are both normalized as well as orthogonal are
called orthonormal wave functionsV
Wave functions that are solution of schrodinger wave equation are usually
orthonormal to each other. They are independent of one another and the integral
of their product over the whole space is zero.
The normalization or orthogonality condition may be combined as follows:
∞
∫−∞ Ψn ∗ Ψm dτ = 1 if n=m
∞
∫−∞ Ψn ∗ Ψm dτ = 0 if n≠m
The relations can be combined by writing
∞
∫−∞ Ψn ∗ Ψn dτ = δnm
∞
∫ ΨnΨm ∗ dτ = δnm
−∞
Where δnm is called Kroneckor Delta defined as
0 𝑓𝑜𝑟 𝑛 ≠ 𝑚
δnm = {
1 𝑓𝑜𝑟 𝑛 = 𝑚
Wave functions that satisfy the above equation are said to be orthonormal.
II
[Link]
II
[Link]
III
[Link]
IV
[Link]
V
[Link]
