International Journal of Quantum Chemistry, vol.90, no.1, pp.136-143, 2002 (SCI-Expanded)
Article / Article
International Journal of Quantum Chemistry
Science Citation Index Expanded (SCI-EXPANDED), Scopus
Modified overlap integrals, Nuclear-attraction integrals, Overlap integrals, Slater type orbitals
Ondokuz Mayıs University Affiliated:
Gegenbauer coefficients and basic overlapping integrals were used to calculate the modified overlap and nuclear-attraction integrals over Slater-type orbitals (STO) for extremely large quantum numbers. The results were found to be accurate for the principle quantum numbers of Slater functions. The accuracy of the results were also established for arbitary values of internuclear distances and screening constants of atomic orbitals.