Introduction to Quantum Mechanics

Paper Code: 
CHY- 503
Contact Hours: 
Max. Marks: 

To learn principal concepts of quantum mechanics and establish relationship between physical properties and molecular structure.

Unit I: 
Elementary Quantum Mechanics

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

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


Unit II: 
Applications of Quantum Mechanics

Particle in one dimensional and two 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.


Unit III: 
Chemical bond: A Quantum Approach

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. 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.


Unit IV: 

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.


Unit V: 
An Introduction to Computational Chemistry

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.


  1. A Text Book of Physical Chemistry; A.S. Negi, S.C.Anand; New Age International (P) Limited, New Delhi, 2002.
  2. Quantum Chemistry Including Molecular Spectroscopy; B.K. Sen; Tata McGraw-Hill, Publishing Company Ltd, New Delhi, 1996.
  3. Introductory Quantum Chemistry; A.K. Chandra; Tata McGraw Hill Publishing Company Limited. New Delhi, 1998
  4. Quantum Chemistry; R.K. Prasad; New Age International (P) Ltd., New Delhi, 2003.
  5. Physical Chemistry Through Problems; S.K. Dogra and S.Dogra; Wiley Eastern Ltd, New Delhi, 2001.
  6. Exploring Chemistry with Electronic Structure Methods- by James B. Frishman and A. Frisel, Gaussian, Inc. Pittsburge, PA


Academic Year: