M.Sc. (Semester III) (CBCS) Examination Nov/Dec-2018
Physical Chemistry
QUANTUM CHEMISTRY
Time: 2½ Hours
Max. Marks: 70
Instructions: All questions are compulsory. Figures to the right indicate full marks. Use of log table and calculator is allowed
Q.1
Multiple choice questions:
14
is the eigen function of d2/dx2 operator.
sinx
cosx
ex
all of these
Quantization concept was first introduced by
Einstein
Pauli
de Broglie
Planck
The value for a0 (Bohr radius) is
0.0529 Å
0.529 Å
0.00529 Å
5.29 Å
The Compton shift depends on
angle of scattering
wavelength of incident light
interacting material
all of these
As per the uncertainty principle, ΔxΔpx equals to
λ/2
h2

λ
The number of nodes for 3d atomic orbital
0
1
2
3
According to variation principle
smaller or is equal to
greater or is equal to
is equal to
all of these

The zero point energy of simple harmonic in oscillator
0
∞
½

The atomic orbital not allowed in quantum theory is
4p
5g
3f
4d
10) Which of the following is acceptable wave function

Ψ=e−x
Ψ=e−x2
all of these
32π 1/2 Z/a0 3/2 2−r e−r/2
11) Which orbital is represented by the wave function,
1s
2s
2p
3d
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SLR-VF-167
12) The limits for Cartesian coordinates are
−∞ to+∞
0 to ∞
0 to r
to r
13) The kinetic energy of a particle can be given as
½ mv2
p2/2m
2mv2
both and
14) According to Bohr, the angular momentum of revolving electron is integral multiple of
2n

h

Q.2
a)Answer the following (Any four)
08
Give basic assumptions of Bohr's atomic theory.
State Wein's displacement law.
Give the condition for orthogonalization and normalization.
Define mathematically
charge density
ii) free valence index
What is the zero point energy of particle in a three dimensional box.
b)Write notes on (Any two)
06
Heisenberg's uncertainty principle
Slater and Guassian type orbitals
Stern Gerlach experiment
Q.3
a)Answer the following (Any two)
08
Evaluate the commutator d/dx].
Derive the expression for total energy operator
Write on Slater determinants.
b)Answer he following (Any one)
06
Discuss radial distribution function and its significance.
Describe self consistent field approximation.
Q.4
a)Answer the following (Any two)
10
Evaluate average value for position and momentum for a particle in one dimensional box of length a Å.
Sketch and Ψ2 for the states n=2 and n=3 of a particle in one dimensional box.
Discuss the properties of Hermitian type operator.
b)Answer the following (Any one)
04
If the position of an electron in an atom could be determined with an accuracy of 0.1 what would be the uncertainty in its velocity?
Find out the normalization constant N of the function
N sin x where the
Q.5
Answer the following (Any Two)
14
a)Deduce the expression for Schrodinger wave equation for particle in a three dimensional box.
b)Using Huckel Molecular Orbital approach, evaluate the molecular orbital coefficients for wave functions of ethylene molecule.
c)Discuss perturbation theory used for finding approximate solutions for the Schrodinger equation.