**Computational Electronic Structure Theory**

by Patrick Rinke

**Publisher**: Fritz Haber Institute 2011**Number of pages**: 66

**Description**:

The ever growing field of Computational electronic structure theory combines theoretical physics and chemistry, math and computer science. The overall goal is to have a theory that accurately and reliably predicts material properties from first principles.

Download or read it online for free here:

**Download link**

(multiple formats)

## Similar books

**Lecture Notes in Computational Chemistry: Electronic Structure Theory**

by

**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.

(

**12648**views)

**Electronic Structure Theory**

by

**Patrick Rinke**-

**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.

(

**7574**views)

**Molecular Electronic Structures: an introduction**

by

**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.

(

**16844**views)

**Geometry and Topology in Electronic Structure Theory**

by

**Raffaele Resta**-

**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.

(

**11697**views)