Computation of Overlap Integrals Over Slater-Type Orbitals Using Auxiliary Functions

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dc.contributor.authorGuseinov, I. I.
dc.contributor.authorÖzmen, A.
dc.contributor.authorAtav, U.
dc.contributor.authorYüksel, H.
dc.date.accessioned2020-03-26T16:26:06Z
dc.date.available2020-03-26T16:26:06Z
dc.date.issued1998
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractAnalytical expressions through the binomial coefficients and recursive relations are derived for the expansion coefficients of overlap integrals in terms of a product of well-known auxiliary functions A(k) and B-k. These formulas are especially useful for the calculation of overlap integrals for large quantum numbers. Accuracy of the computer results is satisfactory for the values of quantum numbers up to 50 and for the arbitrary values of screening constants of atomic orbitals and internuclear distances.en_US
dc.identifier.citationÖzmen, A., Guseinov, I. I., Atav, U., Yüksel, H., (1998). Computation of Overlap Integrals Over Slater-Type Orbitals Using Auxiliary Functions. International Journal of Quantum Chemistry, 67(4), 199-204.
dc.identifier.doi10.1002/(SICI)1097-461X(1998)67:4<199en_US
dc.identifier.endpage204en_US
dc.identifier.issn0020-7608en_US
dc.identifier.issue4en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage199en_US
dc.identifier.urihttps://dx.doi.org/10.1002/(SICI)1097-461X(1998)67:4<199
dc.identifier.urihttps://hdl.handle.net/20.500.12395/16753
dc.identifier.volume67en_US
dc.identifier.wosWOS:000072118700001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherJOHN WILEY & SONS INCen_US
dc.relation.ispartofInternational Journal of Quantum Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.titleComputation of Overlap Integrals Over Slater-Type Orbitals Using Auxiliary Functionsen_US
dc.typeArticleen_US

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