Computational Electronic Structure Theory
by Patrick Rinke
Publisher: Fritz Haber Institute 2011
Number of pages: 66
The ever growing field of Computational electronic structure theory combines theoretical physics and chemistry, math and computer science. The overall goal is to have a theory that accurately and reliably predicts material properties from first principles.
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by David Sherrill, et al. - Georgia Tech
From the table of contents: Intro to Electronic Structure Theory; Integral Notation and Hartree-Fock MO Theory; Basis Sets; Configuration Interaction; Density Functional Theory; Many-body Perturbation Theory; Coupled-cluster Theory.
Contents: Electron configuration; Tight binding; Nearly free electron model; Hartree-Fock method; Modern valence bond; Generalized valence bond; Moller-Plesset perturbation theory; Configuration interaction; Coupled cluster; etc.
by Peter E. Blöchl - TU Clausthal
This book provides an introduction into the quantum mechanics of the interacting electron gas. It aims at students at the graduate level, that already have a good understanding on one-particle quantum mechanics. My aim is to include all proofs ...
by Carl J. Ballhausen, Harry B. Gray - Benjamin-Cummings Publishing Co.
An introduction to molecular electronic structural theory, concentrating on the description of ground state electronic structures - the principles of chemical bonding in molecules. Familiarity with differential and integral calculus is required.