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: 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 ...
(9161 views)
Book cover: Geometry and Topology in Electronic Structure TheoryGeometry and Topology in Electronic Structure Theory
by - University of Trieste
From the table of contents: Introduction; Early discoveries; Berry-ology (geometry in nonrelativistic quantum mechanics); Manifestations of the Berry phase; Modern theory of polarization; Quantum metric and the theory of the insulating state.
(11321 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.
(9781 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.
(16530 views)