Electronic Structure Theory
by Patrick Rinke
Publisher: Fritz Haber Institute 2014
Number of pages: 63
The goal of electonic structure theory is to be predictive. Computational Electronic Structure Theory is an ever-growing field which combines theoretical physics and chemistry with computer science and math. Contents: The Schroedinger Equation; Wave Function based approaches; Density Functional Theory; Green's Function Theory.
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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.
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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.
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From the table of contents: theory of the electronic ground state; screening and electrostatics; formal linear response theory; electron gas results; pseudopotential perturbation theory; ground state of periodic solids; lattice dynamics.
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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 ...