Publication:
Evaluation of Two-Center Overlap and Nuclear Attraction Integrals Over Slater-Type Orbitals with Integer and Noninteger Principal Quantum Numbers

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dc.contributor.authorOzdogan, T
dc.contributor.authorOrbay, M
dc.date.accessioned2020-06-21T15:48:52Z
dc.date.available2020-06-21T15:48:52Z
dc.date.issued2002
dc.departmentOMÜen_US
dc.department-tempOndokuz Mayis Univ, Fac Educ, Dept Phys, Amasya, Turkey --en_US
dc.description.abstractA general formula has been established for the expansion of the product of two normalized associated Legendre functions centered on the nuclei a and b. This formula has been utilized for the evaluation of two-center overlap and nuclear attraction integrals over Slater-type orbitals (STOs) with integer and noninteger principal quantum numbers. The formulas given in this study for the evaluation of two-center overlap and nuclear attraction integrals show good rate of convergence and great numerical stability under wide range of quantum numbers, orbital exponents, and internuclear distances. (C) 2002 John Wiley Sons, Inc.en_US
dc.identifier.doi10.1002/qua.10052
dc.identifier.endpage22en_US
dc.identifier.issn0020-7608
dc.identifier.issn1097-461X
dc.identifier.issue1en_US
dc.identifier.startpage15en_US
dc.identifier.urihttps://doi.org/10.1002/qua.10052
dc.identifier.urihttps://hdl.handle.net/20.500.12712/22060
dc.identifier.volume87en_US
dc.identifier.wosWOS:000173734100003
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.journalInternational Journal of Quantum Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSlater-Type Orbitalsen_US
dc.subjectNoninteger Principal Quantum Numbersen_US
dc.subjectOverlap Integralsen_US
dc.subjectNuclear Attraction Integralsen_US
dc.titleEvaluation of Two-Center Overlap and Nuclear Attraction Integrals Over Slater-Type Orbitals with Integer and Noninteger Principal Quantum Numbersen_US
dc.typeArticleen_US
dspace.entity.typePublication

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