He–He Interaction in the SCF–MO Approximation

Abstract

The interaction of the two helium atoms between 1 and ${\text{6a}}_0$ has been calculated using the homonuclear diatomic SCF program of the Laboratory of Molecular Structure and Spectra at the University of Chicago. Adequate results are obtained when the basis set consists of three s‐type and one p‐type atomic functions on each center. The Hartree‐Fock energy of the He₂ system is always greater than that of two helium atoms.