An analysis of the partial wave expansion of the dispersion energy for Ne2

Abstract

Calculations of the dispersion energy for Ne2 by using the partial wave expansion through the h=h term were carried out in the region of the van der Waals minimum. It is shown that, at R = 6ag4, lack of higher than d orbitals gives a dispersion energy in error by ≈16%, and lack of higher than f orbitals gives an error of ≈6%.