Rl. Pavlov et al., SPIN-DENSITY FUNCTIONAL THEORY .4. EXPECT ATION VALUES OF OPERATORS FOR SPIN MANIFOLDS, Comptes rendus de l'Academie des sciences. Serie 2, Mecanique, physique, chimie, sciences de l'univers, sciences de la terre, 317(12), 1993, pp. 1549-1554
We show how, in the rigorous approach of spin-including density-functi
onal theory, the expectation values of s-particle operators, as well a
s those of spin-including mono- and bi-particle operators, are functio
nals of the monoparticle density rho(r). The give general expressions
for the expectation values of the spin-field spin-orbit and spin-spill
interaction operators. Transition matrices between states with differ
ent spins are also expressed as functionals of rho(r).