Partial Wave Calculation of the Diatomic Molecule (HeH)++

Abstract

The solutions to the Schrödinger equation for the diatomic molecule (HeH)⁺⁺ in the Born—Oppenheimer approximation have been expanded in a series of partial waves, and radial equations have been derived. These radial equations have been solved numerically for the first three orders of approximation and the energy eigenvalues and wavefunctions have been obtained for seven different Σ states at various values of the internuclear separation. The numerical wavefunctions have been used to calculate dipole transition integrals and dipole moments.