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
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.
(8967 views)
Methods of Electronic Structure Theoryby Raffaele Resta
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.
(9018 views)
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.
(10403 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.
(11473 views)