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
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).