Syllabus

Invalid assumptions of classical mechanics, Black body radiation, Planck’s quantum theory, Photoelectric effect, molar heat capacity of monoatomic solids, Atomic spectra, Bohr theory of atom, Angular momentum, wave – particle duality, de Broglie equation, Heisenberg uncertainty principle, The wave equation, postulates of quantum mechanics and Schrodinger equation, Operators and commutation relations, Hermitian nature of operator, expectation values, Application of quantum postulates to simple model systems (particle in 1D, 2D and 3D box, Harmonic oscillator, Rotation in 2 and 3 dimensions), Hydrogen atom, Radial and angular wavefunctions, Angular momentum, vector model, Total wavefunctions and orbital presentations, Approximation methods: Time-independent perturbation theory, Variation method-secular determinants and secular equations, Hartree-Fock equations, self-consistent field method, atoms and molecules, bonding and application to spectroscopy.

The course is designed to provide an overview of the quantum chemical description of atoms and molecules, their reactivity and chemical bonding.

To provide knowledge on solving Schrodinger equation on simpler systems.

To provide knowledge on approximation methods.

To instill the concept of quantum chemistry's application in atoms and molecules.

1. Students will be able to gain an overview of the quantum chemical description of atoms and molecules, their reactivity and chemical bonding.
2. Students will be able to gain knowledge on solving Schrodinger equation on simpler systems.
3. Students will be able to gain knowledge on approximation methods.
4. The concept of quantum chemistry's application in atoms and molecules is expected to be instilled in students' minnd

Donald A. McQuarrie, Quantum Chemistry, University Science Books , Indian Edition: Viva Books Pvt Ltd. 2003

Ira N. Levine, Quantum chemistry, Pearson Education , Fifth edition

P. W. Atkins, R. S. Friedman, Ronald Friedman, Molecular Quantum Mechanics, Oxford University Press , 4th edition

R. K. Prasad, Quantum Chemistry, New Age International Publishers , 1996