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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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 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.