DENSITY-FUNCTIONS AND DENSITY FUNCTIONALS

Authors
Citation
R. Mcweeny, DENSITY-FUNCTIONS AND DENSITY FUNCTIONALS, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(5), 1994, pp. 727-735
Citations number
13
Categorie Soggetti
Physics, Applied
ISSN journal
09586644
Volume
69
Issue
5
Year of publication
1994
Pages
727 - 735
Database
ISI
SICI code
0958-6644(1994)69:5<727:DADF>2.0.ZU;2-T
Abstract
This paper is concerned with the electron density and other 'property densities' and, through the use of concrete examples, touches upon som e of the fundamental aspects of density functional theory (DFT) that a re seldom considered. In particular, this paper considers what density functions are needed in discussing observable electronic properties a nd what is their role in DFT. The implications of the Pauli Principle and the constraints imposed by the requirement of N-representability a re considered in some detail.