DENSITY-FUNCTIONAL THEORY AND INTERIONIC POTENTIALS

Authors
ALLAN NL MACKRODT WC
Citation
Nl. Allan et Wc. Mackrodt, DENSITY-FUNCTIONAL THEORY AND INTERIONIC POTENTIALS, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(5), 1994, pp. 871-878
Citations number
40
Categorie Soggetti
Physics, Applied
Journal title
Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties → ACNP
ISSN journal
09586644
Volume
69
Issue
5
Year of publication
1994
Pages
871 - 878
Database
ISI
SICI code
0958-6644(1994)69:5<871:DTAIP>2.0.ZU;2-E
Abstract
A brief review is presented of how density functional theory has been used to obtain interionic potentials in solids. The advantage and also the limitations of this approach are stressed. Functionals based on t he uniform electron gas are much more successful than might have been anticipated from the underlying assumptions of the model.