x
Menu

Approximate Methods in Quantum Chemistry

IIT Kharagpur, , Prof. Sabyashachi Mishra

Updated On 02 Feb, 19

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

Includes

Lecture 28: lecture 27: Energy Expectation Value with Slater Determinants - I

4.1 ( 11 )


Lecture Details

Energy Expectation Value with Slater Determinants - I

Course Details

Course layout:

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

Ratings

0


0 Ratings
55%
30%
10%
3%
2%
Comments
comment person image

Sam

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

Reply
comment person image

Dembe

Great course. Thank you very much.

Reply
Send