Density Functional Theory, Methods, Techniques, and Applications

Autor: D. R. Salahub, S. Chrétien
Rok vydání: 2007
Předmět:
Zdroj: Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules ISBN: 9783540429081
DOI: 10.1007/3-540-45621-x_4
Popis: Important concepts of Density Functional Theory (DFT) and the different types of approximation for the exchange-correlation energy functional are presented. Applications illustrate the advantages of using DFT as a computational tool and point out some limitations as well.
Databáze: OpenAIRE