Subject Code: CY5L001	Subject Name: Introduction to Quantum Chemistry	L-T-P: 3-1-0	Credit: 4
Prerequisite(s): Nil
Quantum Chemistry: Planck’s quantum theory, wave–particle duality. Uncertainty Principle, operators and commutation relations; postulates of quantum mechanics and Schrodinger equation; free particle, particle in a box, degeneracy, harmonic oscillator, rigid rotator and the hydrogen atom. Angular momentum, eigenvalues of angular momentum operator, ladder operators, orbital and spin motion of electron, coupling of angular momenta including spin-orbit coupling, Time-independent perturbation theory, degenerate states, variational method, Hellmann-Feynman theorem. Spectra and structure of helium atom, term symbols for atoms, Hartree-Fock equations, self-consistent field method and coupling schemes. Born-Oppenheimer approximation, hydrogen molecule ion, hydrogen molecule: valence bond and molecular orbital methods, polyatomic molecules and hybridization. Text/ Reference Books: Levine I. N. and Hall P. Quantum Chemistry, Prentice-Hall. Schatz G. C. and Ratner M. A. Quantum Mechanics in Chemistry, Dover. Macquarie, D. A. Quantum Chemistry, University Science Books. Chandra, A. K. Introductory Quantum Chemistry, Tata McGraw-Hill Education. Pauling L. and Wilson (Jr) E. B. Introduction to Quantum Mechanics with Applications to Chemistry, Dover.