SPIN-DENSITY FUNCTIONAL THEORY .5. THE EN ERGY FUNCTIONAL FOR SPIN MANIFOLDS - SYMMETRIES OF THE SYSTEM - KINETIC-ENERGY

Citation
Rl. Pavlov et al., SPIN-DENSITY FUNCTIONAL THEORY .5. THE EN ERGY FUNCTIONAL FOR SPIN MANIFOLDS - SYMMETRIES OF THE SYSTEM - KINETIC-ENERGY, Comptes rendus de l'Academie des sciences. Serie II. Mecanique, physique, chimie, astronomie, 320(5), 1995, pp. 259-264
Citations number
19
Categorie Soggetti
Multidisciplinary Sciences
ISSN journal
12518069
Volume
320
Issue
5
Year of publication
1995
Part
1
Pages
259 - 264
Database
ISI
SICI code
1251-8069(1995)320:5<259:SFT.TE>2.0.ZU;2-A
Abstract
We show how to express the energy functional for the spin multipliciti es of a system described by a corrected Schrodinger Hamiltonian. The u se of the local-scale transformation (LST) to build this functional mu st fulfill certain conditions in order to maintain the space symmetry of the system. We discuss the validity of this functional for space or spin degenerate or non-degenerate states. We study the dependence of the Weizsaecker and extended Thomas-Fermi kinetic energy terms on the choice of the model wave function (MWF), that is of the induced orbit and of the spin configuration of the system. This helps to understand how the scalar function of the LST determines the correlation effects in the kinetic energy induced by the correlation functions in the pote ntial energy.