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.
(4998 views)
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.
(1404 views)
Book cover: Computational Electronic Structure TheoryComputational Electronic Structure Theory
by - 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.
(6037 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.
(10980 views)