Spin-dependent interatomic potentials in transition metals

The spin-dependent Kohn-Sham total energy functional for transition metals (TM) is written within the pseudopotential formalism. An approach to the ab initio derivation of interatomic interactions in TM is developed. It is based on utilizing the local spin-density approximation and linear-superposition assumption for ari electron density of the valence electrons. The analytic expressions for tbe spin-dependent pair and triplet potentials an presented. An approach proposed reveals prospects for deriving the Ising-model parameters from the first principles.