Approximate Methods in Quantum Chemistry

Por: Swayam . en: , ,


This course will introduce students to various approximate techniques in quantum chemistry. In particular, a thorough mathematical and physical foundation will be laid for variational principle, perturbation theory, and self-consistent field method. The strengths and weaknesses of the techniques will be discussed and each technique will be illustrated by examples from chemical bonding and molecular spectroscopy. Several applications of these methods will be discussed in the assignments
CMSc (Chemistry) students and Chemistry PhD students interested in theoretical and computational chemistry research.PREREQUISITES : Introductory Quantum ChemistryINDUSTRIES SUPPORT :None