- The Born-Oppenheimer approximation and the concept of potential energy surfaces for polyatomic molecules.
- Rotational-vibrational Hamiltonians with emphasis on coupling terms for diatomic molecules-semiclassical WKBJ approximation.
- Polyatomic rotational-vibrational Hamiltonian- the Wilson-Howard-Darling- Dennison form and perturbation theory. The Watson Hamiltonian and contact transformation method for obtaining effective Hamiltonians. Coriolis and centrifugal coupling effects, vibrational anharmonicity.
- Numerical methods for solving the vibrational Hamiltonian for small polyatomics. Introduction to the variational method-Discrete variable and Finite Basis Representations.
- Theory of line intensities for infra-red and Raman spectra. Introduction to modern laser spectroscopic techniques.
- Introduction to the theory of ro-vibrational spectra of non-rigid molecules and van der Waals complexes.
References:
- D. Papousek and M. R. Aliev, Molecular Rotational – Vibrational Spectra, Elsevier, 1982.
- L. A. Gribov and W. J. Orville-Thomas, Theory and Methods of Calculation of Molecular Spectra, John Wiley, 1988.
- Molecular Spectroscopy, Modern Research, 3 volumes edited by K. Narahari Rao, Academic Press, 1985.
- Methods in Computational Chemistry, edited by S. Wilson, Plenum Press, 1985.
- Structure and Dynamics of Weakly Bound Molecular Complexes, edited by A. Weber, Reidel Publishers, 1986.
Prerequisite: (M. Sc. Elective Course in Advanced Molecular and Magnetic Resonance Spectroscopy).
