Multicenter Integrals over Polarization Potential Operators

摘要

Analytic expressions for multicenter integrals over the general one-particle operator x~(n')y~(l')z~(m')|r|~(-k)(1 - exp(-#alpha#r~2))~n(n',m',l', n >= 0, k > 2, #alpha# > 0), employing Cartesian Gaussians, are presented. While until now only P. Schwerdtfeger and H. Silberbach(Phys Rev A 1988, 37, 2834) have succeeded in finding such expressions, using a Laplace transform, we shall show that one can also get them according to the method of L. E. McMurchie and E. R. Davidson (J Comp Phys 1978, 26, 218; J Comp Phys 1981, 44, 289).