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Electronic Structure Theory

e-books in Electronic Structure Theory category

Book cover: Electronic Structure TheoryElectronic Structure Theory
by - 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.
(1396 views)
Book cover: Electronic Structure MethodsElectronic Structure Methods
- Wikipedia ,
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.
(5165 views)
Book cover: Introduction to Electronic Structure MethodsIntroduction to Electronic Structure Methods
by - 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.
(4990 views)

Book cover: Lecture Series in Electronic Structure TheoryLecture Series in Electronic Structure Theory
by - 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.
(4839 views)
Book cover: Methods of Electronic Structure TheoryMethods of Electronic Structure Theory
by ,
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.
(4840 views)
Book cover: Geometry and Topology in Electronic Structure TheoryGeometry and Topology in Electronic Structure Theory
by - 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.
(4968 views)
Book cover: Computational Electronic Structure TheoryComputational Electronic Structure Theory
by - 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.
(6028 views)
Book cover: Lecture Notes in Computational Chemistry: Electronic Structure TheoryLecture Notes in Computational Chemistry: Electronic Structure Theory
by - 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.
(6747 views)
Book cover: Molecular Electronic Structures: an introductionMolecular Electronic Structures: an introduction
by - Benjamin-Cummings Publishing Co. ,
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.
(10971 views)