ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, vol.60, no.7, pp.477-483, 2005 (SCI-Expanded)
Article / Article
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
Science Citation Index Expanded (SCI-EXPANDED), Scopus
Coulomb integral, Slater type orbital, Poisson equation, overlap integral, ELECTRON-REPULSION INTEGRALS, OVERLAP INTEGRALS, ATOMIC ORBITALS, MULTICENTER INTEGRALS, MOLECULAR INTEGRALS, SYMBOLIC CALCULATION, 3-CENTER INTEGRALS, NUCLEAR-ATTRACTION, TRANSLATION METHOD, SERIES EXPANSION
Ondokuz Mayıs University Affiliated:
In this paper, a new analytical formula has been derived for the two-center Coulomb integrals over Slater type orbitals using the Poisson equation. The obtained results from constructed computer program for the presented formula have been compared with the available literature and it is seen that the efficiency of the presented algorithm for a wide range of quantum numbers, orbital exponents and internuclear distances is satisfactory.