Computation of molecular integrals over Slater-type orbitals. IV. Calculation of multicenter electron-repulsion integrals using recurrence relations for overlap integrals

Guseinov, Israfil IsaMamedov, BAAydin, R2025-01-272025-01-2720000166-1280https://doi.org/10.1016/S0166-1280(99)00285-7https://hdl.handle.net/20.500.12428/22432Using formulas given by one of the authors [I.I. Guseinov, J. Mel. Struct. (Theochem) 417 (1997) 117], the multicenter electron-repulsion integrals with the arbitrary location and screening constants of Slater-type orbitals (STOs) are calculated for extremely large quantum numbers. Accuracy of the results is quite high for quantum numbers n, l and m of STOs. (C) 2000 Elsevier Science B.V. All rights reserved.eninfo:eu-repo/semantics/closedAccesselectron-repulsion integralsSlater-type orbitalsGaussian-type orbitalsoverlap integralsComputation of molecular integrals over Slater-type orbitals. IV. Calculation of multicenter electron-repulsion integrals using recurrence relations for overlap integralsArticle503317918810.1016/S0166-1280(99)00285-7Q3WOS:0000875562000052-s2.0-0034732971N/A