Electronic Structure Calculations for Solids and Molecules

Theory and Computational Methods

This 2006 graduate textbook describes the theoretical approaches and computational techniques for studying electronic structure problems.

Jorge Kohanoff (Author)

9780521815918, Cambridge University Press

Hardback, published 29 June 2006

372 pages

24.4 x 17 x 2.2 cm, 0.79 kg

Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and a]