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Electronic Structure Theory
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e-books in this category
Lecture Series in Electronic Structure Theory
by David Sherrill, et al. - Georgia Tech , 2002
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.
Methods of Electronic Structure Theory
by Raffaele Resta , 1996
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.
Geometry and Topology in Electronic Structure Theory
by Raffaele Resta - University of Trieste , 2012
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.
Computational Electronic Structure Theory
by Patrick Rinke - Fritz Haber Institute , 2011
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.
Lecture Notes in Computational Chemistry: Electronic Structure Theory
by Jurg Hutter - University of Zurich , 2005
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.
Molecular Electronic Structures: an introduction
by Carl J. Ballhausen, Harry B. Gray - Benjamin-Cummings Publishing Co. , 1980
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.