Publication:
Evaluation of Two-Center Overlap Integrals Using Slater Type Orbitals in Terms of Bessel Type Orbitals

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dc.authorscopusid55922474500
dc.authorscopusid15837929900
dc.authorscopusid57028001700
dc.contributor.authorÖzdoǧan, T.
dc.contributor.authorOrbay, M.
dc.contributor.authorDeǧirmenci, S.
dc.date.accessioned2020-06-21T15:37:36Z
dc.date.available2020-06-21T15:37:36Z
dc.date.issued2005
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Özdoǧan] Telhat, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Orbay] Metin, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Deǧirmenci] Salih, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractUsing the definition of STOs in terms of BTOs, we have presented analytical formula for two-center overlap integrals. The obtained formula contains generalized binomial coefficients and Mulliken integrals A <inf>k</inf> and B <inf>k</inf>. Taking into account the recent advances on the efficient calculation of Mulliken integrals (Harris, Int. J. Quantum Chem., 100 (2004) 142), we have obtained many more satisfactory results for two-center overlap integrals, for arbitrary quantum numbers, scaling parameters, and location of atomic orbitals.en_US
dc.identifier.doi10.1007/s10910-004-7661-5
dc.identifier.endpage35en_US
dc.identifier.issn0259-9791
dc.identifier.issn1572-8897
dc.identifier.issue1en_US
dc.identifier.scopus2-s2.0-10244241818
dc.identifier.scopusqualityQ2
dc.identifier.startpage27en_US
dc.identifier.urihttps://doi.org/10.1007/s10910-004-7661-5
dc.identifier.volume37en_US
dc.identifier.wosWOS:000225538100003
dc.identifier.wosqualityQ2
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofJournal of Mathematical Chemistryen_US
dc.relation.journalJournal of Mathematical Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBessel Type Orbitalen_US
dc.subjectSlater Type Orbitalen_US
dc.subjectTwo-Center Overlap Integralen_US
dc.titleEvaluation of Two-Center Overlap Integrals Using Slater Type Orbitals in Terms of Bessel Type Orbitalsen_US
dc.typeArticleen_US
dspace.entity.typePublication

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