Orbitndash;Orbit Integrals for Diatomic Molecules

摘要

The onehyphen; and twohyphen;center Coulomb, hybrid, and exchange integrals that contribute to the orbitndash;orbit interaction in diatomic molecules are evaluated for arbitrary combinations of Slater orbitals. The basic formulation and the results are compatible with some previous treatments of interelectronichyphen;repulsion and finehyphen;structure integrals.