SELF-INTERACTION FREE RELATIVISTIC LOCAL SPIN-DENSITY APPROXIMATION -EQUIVALENT OF HUNDS RULES IN GAMMA-CE

In this Letter we present an ab initio, density functional theory, jus tification for the validity of Hund's type of rules in the solid state with localized electrons. We demonstrate that an orbital dependent fu nctional, such as the self-interaction-corrected local spin density, i s capable of fully describing the localized nature of the f state, so that all three Hund's rules are fulfilled. We argue this on the basis of linear-muffin-tin-orbital calculations in the atomic-sphere approxi mation for the gamma phase of Ce.