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 to understand the concepts of quantum chemistry
 to apply knowledge gained through the course to fundamental structure of atoms and
molecules.

THEORY (45 Hours)

UNIT-I (11 Hours)

Statistical Thermodynamics:Basic Terminology: probability, phase space, micro and macro
states, thermodynamic probability, statistical weight,
assembly, ensemble, The most probable distribution: Maxwell-Boltzmann distribution, quantum
statistics: The Bose-Einstein statistics and Fermi- Dirac Statistics. Thermodynamic probability
(W) for the three types of statistics. Lagrange‘s undetermined multipliers. Stirling‘s
approximation, Molecular partition function and its importance.
Applications to ideal gases: The molecular partition function and its factorization. Evaluation of
translational, rotational and vibrational partition functions, the electronic and nuclear partition
functions for monatomic, diatomic and polyatomic gases.

UNIT-II (11 Hours)
Quantum Mechanics: black-body radiation, heat capacities, photoelectric and Compton effects,
atomic and molecular spectra, particle diffraction, wave-matter duality.Foundation of Quantum
theory Postulates of quantum mechanics. Uncertainty Principle Schrodinger equation and its
interpretation.Hermitian operators and their properties. Commutation relations. Linear harmonic
oscillator and its solution in terms of ladder operators(factorization method). Selection rules,
expectation values.

UNIT –III (11 Hours)
Virial theorem. Hydrogen atom and its complete solution (including solution of the radial
equation using factorization method). Spherical harmonics as wave functions of a rigid rotor.
Total wave function of the hydrogen like atoms, shapes of atomic orbitals, Radial distribution
function.Angular momentum, Spin. Coupling of angular momenta; spin-orbit coupling. Molecular
term symbols.
UNIT-IV (12 Hours)

Approximate Methods: Time-Independent (Non-degenerate, degenerate states) perturbation
theory. Application of time-dependent perturbation theory. The variation method. Comparison of
perturbation and variation method. Valence-bond and molecular orbital approaches, their
comparison and equivalence limit. The pi-electron approximation. Huckel theory of conjugated
systems. Applications to ethylene, butadiene and benzene.
PRACTICAL (30 Hours)

1. Refractive Index (RI) Measurements: Refractive index measurements of pure solvents and
analysis of solvent mixtures in terms of composition from the calibration plot.
2. Conductometric Measurements: Determination of cell constant, limiting molar conductance
of simple electrolytes in water, verification of Ostwald, dilution law for week acetic acid.
3. Thermochemistry: Determination of water equivalent of thermos flask, and estimation of
heat of neutralization for strong acid strong base, weak acid strong base or vice – versa, heat
of hydration and solution of salts.
SUGGUESTED READINGS:

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