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: 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.
(5941 views)
Book cover: Methods of Electronic Structure TheoryMethods of Electronic Structure Theory
by
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.
(4741 views)
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.
(4901 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.
(4747 views)