Introduction to Quantum Mechanics

Black-body radiation, Planck’s radiation law, photoelectric effect, heat capacity of solids; Bohr’s model of hydrogen atom (no derivation) and its defects, Compton effect, de Broglie hypothesis, Heisenberg’s uncertainity principle.
 

Sinusoidal wave equation, Hamiltonian operator, Schrodinger wave equation and its importance, physical interpretation of the wave function, postulates of quantum mechanics.

Particle in one dimensional box; Schrodinger wave equation for H-atom, separation into three equations (without derivation); quantum numbers and their importance, hydrogen like wave functions, radial and angular wave functions.
 

An overview of computational chemistry, molecular mechanics, electronic structure method, semi-empirical, ab initio and density functional methods, principle of model chemistry, desirable features of a model chemistry.
 

Molecular orbital theory, basic ideas- criteria for forming M.O. from A.O, construction of M.O’s by LCAO (H2+ ion), calculation of energy levels from wave functions, physical picture of bonding and antibonding wave functions; hybrid orbitals – sp, sp2, sp3, calculation of coefficients of A.O.’s used in these hybrid orbitals.
Polarization – Clausius-Mossotti equation, measurement of dipole moment- temperature method and refractivity method.

Self Study: concept of , *, , * orbitals and their characteristics; orientation of dipoles in an electric field, dipole moment, induced dipole moment, introduction to valence bond model of H2, comparison of M.O. and V.B. models; dipole moment and structure of molecules; Magnetic properties-paramagnetism, diamagnetism and ferromagnetism