Approximate Methods in Quantum Chemistry

Go to class
Write Review

Free Online Course: Approximate Methods in Quantum Chemistry provided by Swayam is a comprehensive online course, which lasts for 8 weeks long. The course is taught in English and is free of charge. Upon completion of the course, you can receive an e-certificate from Swayam. Approximate Methods in Quantum Chemistry is taught by Prof Sabyashachi Mishra.

Overview
  • 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 INTENDED AUDIENCE :CMSc (Chemistry) students and Chemistry PhD students interested in theoretical and computational chemistry research.PREREQUISITES : Introductory Quantum ChemistryINDUSTRIES SUPPORT :None

Syllabus
  • Week 1 :Review of quantum mechanics
    Week 2 :Variational principle
    Week 3:Chemical bonding
    Week 4 : Perturbation theory
    Week 5:Many electron systems
    Week 6 :Self-consistent field method
    Week 7:Hartree-Fock-Roothan method
    Week 8:Time-dependent perturbation theory