# Approximate Methods in Quantum Chemistry

IIT Kharagpur, , Prof. Sabyashachi Mishra

Updated On 02 Feb, 19

IIT Kharagpur, , Prof. Sabyashachi Mishra

Updated On 02 Feb, 19

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

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4.1 ( 11 )

Basis Sets - I

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

Sam

Sep 12, 2018

Excellent course helped me understand topic that i couldn't while attendinfg my college.

Dembe

March 29, 2019

Great course. Thank you very much.