SPIN-DENSITY FUNCTIONAL THEORY .2. CHARGE AND SPIN-DENSITIES

Authors
PAVLOV RL DELCHEV YI PAVLOVA KA MARUANI J
Citation
Rl. Pavlov et al., SPIN-DENSITY FUNCTIONAL THEORY .2. CHARGE AND SPIN-DENSITIES, Comptes rendus de l'Academie des sciences. Serie 2, Mecanique, physique, chimie, sciences de l'univers, sciences de la terre, 316(8), 1993, pp. 1051-1054
Citations number
17
Categorie Soggetti
Multidisciplinary Sciences
Journal title
Comptes rendus de l'Academie des sciences. Serie 2, Mecanique, physique, chimie, sciences de l'univers, sciences de la terre → ACNP
ISSN journal
07644450
Volume
316
Issue
8
Year of publication
1993
Pages
1051 - 1054
Database
ISI
SICI code
0764-4450(1993)316:8<1051:SFT.CA>2.0.ZU;2-T
Abstract
We show that, in the rigorous approach taking account of spin of the d ensity functional theory, the spatial components of the reduced densit y functions and matrices of orders 1 and 2 are functionals of the mono electronic density. The same holds for the resulting charge and spin d istribution and correlation densities. We present the mathematical for m and discuss the physical meaning of these functionals. All biparticu lar correlations, as well as the spin distribution density and resulti ng magnetic coupling tensors, are entirely determined by the charge di stribution density.