Accurate evaluation of overlap integrals of Slater type orbitals with noninteger principal quantum numbers using complete orthonormal sets of ??-exponential type orbitals

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, B. A.
dc.date.accessioned2025-01-27T20:27:29Z
dc.date.available2025-01-27T20:27:29Z
dc.date.issued2008
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractIn this paper, by the use of complete orthonormal sets of psi(alpha) exponential-type orbitals (Psi(alpha)-ETOs, alpha = 1, 0, -1,-2,...), the series expansion formulas in line-up coordinate systems are established for the overlap integrals with noninteger n* Slater-type orbitals (NISTOs) in terms of overlap integrals over integer n Slater-type orbitals (ISTOs). The suggested approach guarantees a highly accurate calculation of the noninteger n* overlap integrals with arbitrary values of parameters. The results of computer calculations presented are in a complete agreement with those obtained in the literature using the alternative procedure.
dc.identifier.doi10.1007/s10910-007-9240-z
dc.identifier.endpage1532
dc.identifier.issn0259-9791
dc.identifier.issue4
dc.identifier.scopus2-s2.0-43249125781
dc.identifier.scopusqualityQ2
dc.identifier.startpage1527
dc.identifier.urihttps://doi.org/10.1007/s10910-007-9240-z
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22702
dc.identifier.volume43
dc.identifier.wosWOS:000255629300017
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of Mathematical Chemistry
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectSlater type orbitals
dc.subjectexponential type orbitals
dc.subjectoverlap integrals
dc.subjectnoninteger principal quantum numbers
dc.titleAccurate evaluation of overlap integrals of Slater type orbitals with noninteger principal quantum numbers using complete orthonormal sets of ??-exponential type orbitals
dc.typeArticle

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