Electronic structure according to the orbital approximation and the Hartree-Fock theory with electron correlation methods

Abstract

Hartree-Fock theory, a computational method to solve electronic structure of molecules, is reviewed in this thesis. The emphasis is on spotlighting the physical reasoning behind the assumptions of the Hartree-Fock theory. Also, three post-Hartree-Fock electron correlation methods are introduced, configuration interaction, coupled cluster, and Møller-Plesset theory.