Electronic Structure Theory
by Patrick Rinke
Publisher: Fritz Haber Institute 2014
Number of pages: 63
Description:
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.
Download or read it online for free here:
Download link
(1.1MB, PDF)
Similar books

by Jurg Hutter - University of Zurich
Contents: Basic Quantum Mechanics; Basic Mathematical Review; Molecular Hamiltonian; Two-Electron Systems and Spin; Hartree-Fock Approximation; Molecular Orbital Theory; Correlation Energy; Coupled Cluster Approaches; and more.
(13412 views)

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.
(17571 views)

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.
(10476 views)

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.
(10966 views)