SPIN-DENSITY FUNCTIONAL THEORY .3. SPIN D ISTRIBUTION AND CORRELATIONDENSITIES OF SPIN MULTIPLICITIES

Citation
Rl. Pavlov et al., SPIN-DENSITY FUNCTIONAL THEORY .3. SPIN D ISTRIBUTION AND CORRELATIONDENSITIES OF SPIN MULTIPLICITIES, Comptes rendus de l'Academie des sciences. Serie 2, Mecanique, physique, chimie, sciences de l'univers, sciences de la terre, 316(9), 1993, pp. 1219-1222
Citations number
16
Categorie Soggetti
Multidisciplinary Sciences
ISSN journal
07644450
Volume
316
Issue
9
Year of publication
1993
Pages
1219 - 1222
Database
ISI
SICI code
0764-4450(1993)316:9<1219:SFT.SD>2.0.ZU;2-3
Abstract
We show that, in the rigorous approach taking account of spin of the d ensity functional theory, the spin correlation functions and matrices are entirely determined by the charge distribution density rho (r). We form the multiplicities of spin distribution and correlation density functionals, from which the theory is extended to the degenerate state s of a spinless Hamiltonian. We show that the spin correlations and th e densities of spin pairs, spin-orbit interaction and spin-spin intera ction are determined by the function rho (r).