Quantum Chemistry by Mark S. Gordon

Overview & Synopsis

This note deals with the basics of
quantum chemistry, beginning with introductory theory and methods. It covers the
Schr�dinger equation, the Hartree-Fock approach, the use of basis sets and
pseudopotentials. This, along with more advanced topics such as Density
Functional Theory (DFT), multiconfigurational self-consistent field (MCSCF)
methods, as well as techniques for performing calculations for excited states,
introduces solvation models, and global optimization methods, among other
things, and discusses in some detail the GAMESS package in computational
chemistry. The book provides a good framework for beginners, while advanced
students can find appropriate theoretical backbones to support their practical
quantum chemical research.