SPIN-DENSITY FUNCTIONAL THEORY - VIII - E ULER-LAGRANGE EQUATION FOR F(R)

Citation
Rl. Pavlov et al., SPIN-DENSITY FUNCTIONAL THEORY - VIII - E ULER-LAGRANGE EQUATION FOR F(R), Comptes rendus de l'Academie des sciences. Serie II. Mecanique, physique, chimie, astronomie, 325(12), 1997, pp. 719-726
Citations number
24
ISSN journal
12518069
Volume
325
Issue
12
Year of publication
1997
Pages
719 - 726
Database
ISI
SICI code
1251-8069(1997)325:12<719:SFT-V->2.0.ZU;2-L
Abstract
In the previous paper we expressed the Euler-Lagrange variational equa tion for the non-relativistic energy of spin multiplicities of a multi fermionic system, implicit in the charge distribution rho(r), and show ed how to solve it iteratively -- and derive optimal values of observa bles, including the spin distribution sigma(r) -- through using the sc alar function f( r) of the local-scaling transformation of the orbit. In the present paper we derive a similar equation, more explicit but a lso more complex, for the total energy expressed as a functional of f( r), and compare the problems raised by the different approaches.