Calculation of Valence States of NO and NO+

Abstract

The excitation energies for all the valence levels of NO and NO+ have been calculated using approximate Hartree—Fock orbitals found for the ground states of these molecules. In addition spin—orbit coupling constants have been calculated for the 2Π valence states of NO using two different semiempirical methods. We conclude that the valence states which have previously been called ``L 2Π'' and ``P 2Π'' belong to the same electronic system. This is in agreement with the most recent experimental results. It appears likely that the limit of the β series in NO is a 3Π state.