Introduction to Electronic Structure Methods
by Ursula Röthlisberger, Ivano Tavernelli
Publisher: EPFL 2011
Number of pages: 118
The main target of this course is to introduce 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.
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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 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 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.
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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.