Introduction to Quantum Mechanics

Particle in one dimensional and its extension to three 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, selection rule and spectra of Hydrogen atom.

Concept of σ, σ*, Π, Π* orbitals and their characteristics, introduction to valence bond model of H₂, comparison of M.O. and V.B. models, molecular orbital theory, basic ideas- criteria for forming M.O.’s from A.O.’s, 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.

Dipole moment, induced dipole moment, orientation of dipoles in an electric field, dipole moment and structure of molecules, Clausius-Mossotti equation, measurement of dipole moment- temperature method and refractivity method.

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.