| Abstract: | Analytic expressions for multicenter integrals over the general one‐particle operator xn′yl′zm′| r |−k(1−exp(−αr2))n(n′, m′, l′, n≥0, k>2, α>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). ©1999 John Wiley & Sons, Inc. Int J Quant Chem 73: 403–416, 1999 |
