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e-books in this category

Electronic Structure MethodsElectronic Structure Methods
- Wikipedia , 2014
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.
(1954 views)

Introduction to Electronic Structure MethodsIntroduction to Electronic Structure Methods
by Ursula Röthlisberger, Ivano Tavernelli - EPFL , 2011
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.
(1234 views)

Lecture Series in Electronic Structure TheoryLecture 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.
(1254 views)

Methods of Electronic Structure TheoryMethods 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.
(1563 views)

Geometry and Topology in Electronic Structure TheoryGeometry 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.
(2139 views)

Computational Electronic Structure TheoryComputational 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.
(2165 views)

Lecture Notes in Computational Chemistry: Electronic Structure TheoryLecture 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.
(3605 views)

Molecular Electronic Structures: an introductionMolecular 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.
(6055 views)