Book,

Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory

, and .
Dover Publications, Inc., Mineola, First edition, (1996)

Abstract

This looks at the basic theory behind common electronic structure methods. Topics include: mathematical review, many electron wave functions and operators, the Hartree-Fock approximation, configuration interaction, pair and coupled-pair theories, many-body perturbation theory, the one-particle many-body Green's function, integral evaluation with $1s$ primitive Gaussians, two-electron self-consistent-field program, analytic derivative methods and geometry optimisations, and molecular integrals for H2 as a function of bond length. Each chapter has a bibliography and exercises.

Tags

Users

  • @drmatusek

Comments and Reviews