SPIN-DENSITY FUNCTIONAL THEORY .4. THE EN ERGY FUNCTIONAL FOR SPIN MANIFOLDS - POTENTIAL-ENERGY - TOTAL FUNCTIONAL

Citation
Rl. Pavlov et al., SPIN-DENSITY FUNCTIONAL THEORY .4. THE EN ERGY FUNCTIONAL FOR SPIN MANIFOLDS - POTENTIAL-ENERGY - TOTAL FUNCTIONAL, Comptes rendus de l'Academie des sciences. Serie II. Mecanique, physique, chimie, astronomie, 320(6), 1995, pp. 303-308
Citations number
14
Categorie Soggetti
Multidisciplinary Sciences
ISSN journal
12518069
Volume
320
Issue
6
Year of publication
1995
Part
1
Pages
303 - 308
Database
ISI
SICI code
1251-8069(1995)320:6<303:SFT.TE>2.0.ZU;2-T
Abstract
We pursue our application of the the local-scale transformation (LST) to expressing the energy functional for the spin multiplicities of a m ultifermionic system. In a previous Note we have studied the dependenc e of the kinetic energy terms upon the choice of the model wave functi on (MWF). In the present Note we investigate the Coulomb potential ter ms (nucleus-electron attraction, electron-electron repulsion and inter electronic exchange) for space or spin degenerate or non-degenerate st ates. We analyze the components of these terms, especially the contrib ution of the latter to the exchange correlation function. This helps u nderstand how the scalar function of the LST determines the correlatio n effects in the total energy.