Calculation of integrals over ab initio pseudopotentials

An approach is presented for the evaluation of the two distinct types of one-electron integrals arising from the ab initio pseudopotentials introduced by Kahn and Goddard. The integrals are shown to reduce to a sum over products of angular and radial integrals, the latter being approximated by power and asymptotic series combined with appropriate recursion relations. The method is valid for arbitrary angular momenta of both the pseudopotential and the Cartesian Gaussian basis functions