Two-configuration, self-consistent field theory

Abstract

The Hartree-Fock pseudoeigenvalues equations have been derived for configuration interaction in the case of two atomic configurations ns2npN and npN+2. A special case of investigation is the interaction between the nearly-degenerate configurations 1 s22 s22 pN and 1 s22 pN+2. The LCAO form of the equations has also been established. © 1966 Springer-Verlag.