Cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients and its use in the evaluation of multicenter integrals

Abstract

In this study, we present cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients. The obtained results are useful for the calculation of multicenter molecular integrals, over Slater type orbitals, especially for large values of quantum numbers. The main advantage of presented formulae in the evaluation of multicenter integrals is discussed.