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
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.