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.
(11299 views)
Advanced Topics of Theoretical Physics I: The electronic structure of matterby Peter E. Blöchl - TU Clausthal
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 ...
(9272 views)
Molecular Electronic Structures: an introductionby Carl J. Ballhausen, Harry B. Gray - 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.
(16659 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.
(12476 views)