Logo

Computational Electronic Structure Theory

Small book cover: Computational Electronic Structure Theory

Computational Electronic Structure Theory
by

Publisher: Fritz Haber Institute
Number of pages: 66

Description:
The ever growing field of Computational electronic structure theory combines theoretical physics and chemistry, math and computer science. The overall goal is to have a theory that accurately and reliably predicts material properties from first principles.

Home page url

Download or read it online for free here:
Download link
(950KB, PDF)

Similar books

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.
(1522 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.
(5282 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.
(5101 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.
(4951 views)