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.
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by Raffaele Resta
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.
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.
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.
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.