Self-Consistent Local Orbitals for Solid Ne, LiH, MgS, and ZnSe

Abstract

In this paper we report on self-consistent local orbitals for a series of materials. This series includes crystals which are molecular in nature, ionic in nature, and rather covalent in nature. In all cases the local-orbitals equations are solved using analytic Hartree-Fock methods. These equations are solved exactly to first order in interatomic overlap. In previous works we have reported solutions for several ionic crystals. The results of these studies are examined and contrasted.