Electronic Structure Methods
Publisher: Wikipedia 2014
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; Multi-configurational self-consistent field; Density functional theory; Quantum chemistry composite methods; Quantum Monte Carlo; etc.
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by Patrick Rinke - Fritz Haber Institute
The ever growing field of Computational electronic structure theory combines theoretical physics and chemistry, math and computer science. The goal is to have a theory that accurately and reliably predicts material properties from first principles.
by Raffaele Resta - University of Trieste
From the table of contents: Introduction; Early discoveries; Berry-ology (geometry in nonrelativistic quantum mechanics); Manifestations of the Berry phase; Modern theory of polarization; Quantum metric and the theory of the insulating state.
by Ursula Röthlisberger, Ivano Tavernelli - EPFL
The text introduces the basic notions of computational quantum chemistry, which allow to explore reaction mechanisms and explain observations of laboratory reactions. Methods for quantum chemistry can also be applied to solid state physics problems.
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.