Molecular Electronic Structures: an introduction
by Carl J. Ballhausen, Harry B. Gray
Publisher: Benjamin-Cummings Publishing Co. 1980
Number of pages: 139
The present book is an introduction to molecular electronic structural theory. It is aimed at students who have reasonable familiarity with differential and integral calculus and are beginning a study of the physical description of chemical systems. The authors concentrate on the description of ground state electronic structures, or, in other words, the principles of chemical bonding in molecules.
Home page url
Download or read it online for free here:
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 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 Patrick Rinke - Fritz Haber Institute
Computational Electronic Structure Theory is a field which combines theoretical physics and chemistry with computer science and math. Contents: Schroedinger Equation; Wave Function based approaches; Density Functional Theory; Green's Function Theory.