ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Expression of monocentric repulsion integrals on the basis of s,p,d atomic orbitals

P. Pelikán and L. Turi Nagy

Department of Physical Chemistry, Slovak Technical University , 880 37 Bratislava

Abstract: Monocentric electron repulsion integrals arising in the s,p,d basis of AO's were expressed in terms of the Slater-Condon parameters F_ab^k and G_ab^k and in terms of the radial integrals R_abcd^k. The total no. of such integrals in the s,p,d basis is 6561, from which 753 are non-zero.

Full paper in Portable Document Format: 285a594.pdf

Chemical Papers 28 (5) 594–598 (1974)