Introduction to Electronic Structure Methods
by Ursula Röthlisberger, Ivano Tavernelli
Publisher: EPFL 2011
Number of pages: 118
Description:
The main target of this course is to introduce 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.
Download or read it online for free here:
Download link
(multiple formats)
Similar books
Computational Electronic Structure Theoryby Patrick Rinke - 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.
(13471 views)
Lecture Series in Electronic Structure Theoryby David Sherrill, et al. - 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.
(11811 views)
Geometry and Topology in Electronic Structure Theoryby Raffaele Resta - 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.
(14309 views)
Lecture Notes in Computational Chemistry: Electronic Structure Theoryby Jurg Hutter - 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.
(14882 views)