Logo

Lecture Notes in Computational Chemistry: Electronic Structure Theory

Small book cover: Lecture Notes in Computational Chemistry: Electronic Structure Theory

Lecture Notes in Computational Chemistry: Electronic Structure Theory
by

Publisher: University of Zurich
Number of pages: 152

Description:
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; Moller-Plesset Perturbation Theory; Density Functional Theory; Molecular Properties; NMR Chemical Shielding.

Download or read it online for free here:
Download link
(multiple formats)

Similar books

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.
(5946 views)
Book cover: Advanced Topics of Theoretical Physics I: The electronic structure of matterAdvanced Topics of Theoretical Physics I: The electronic structure of matter
by - 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 ...
(4822 views)
Book cover: Lecture Series in Electronic Structure TheoryLecture Series in Electronic Structure Theory
by - 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.
(5760 views)
Book cover: Molecular Electronic Structures: an introductionMolecular Electronic Structures: an introduction
by - 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.
(11979 views)