| Literature DB >> 14517610 |
Israfil Guseinov1, Ramazan Aydin, Bahtiyar Mamedov.
Abstract
Multicenter overlap integrals appearing in the evaluation of multicenter-multielectron integrals of central and noncentral interaction potentials are calculated using complete orthonormal sets of psi(alpha)-ETOs (alpha=1, 0, -1, -2,...). The final results are expressed in terms of two-center overlap integrals between STOs. The convergence of the series is tested by calculating concrete cases for arbitrary quantum numbers, screening constants and location of STOs.Mesh:
Year: 2003 PMID: 14517610 DOI: 10.1007/s00894-003-0151-z
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810