e-books in Electronic Structure Theory category
![Book cover: Electronic Structure Theory](images/11162.jpg)
by Patrick Rinke - Fritz Haber Institute , 2014
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.
(7591 views)
![Book cover: Advanced Topics of Theoretical Physics I: The electronic structure of matter](images/10446.jpg)
by Peter E. Blöchl - TU Clausthal , 2013
This book provides an introduction into the quantum mechanics of the interacting electron gas. It aims at students at the graduate level, that already have a good understanding on one-particle quantum mechanics. My aim is to include all proofs ...
(9489 views)
![Book cover: Introduction to Electronic Structure Methods](images/9421.jpg)
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.
(10369 views)
![Book cover: Lecture Series in Electronic Structure Theory](images/8117.jpg)
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.
(9932 views)
![Book cover: Methods of Electronic Structure Theory](images/7893.jpg)
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.
(10089 views)
![Book cover: Geometry and Topology in Electronic Structure Theory](images/7560.jpg)
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.
(11713 views)
![Book cover: Computational Electronic Structure Theory](images/6554.jpg)
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.
(11455 views)
![Book cover: Lecture Notes in Computational Chemistry: Electronic Structure Theory](images/6129.jpg)
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.
(12665 views)
![Book cover: Molecular Electronic Structures: an introduction](images/1547.jpg)
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.
(16859 views)