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Evaluation of two-center overlap integrals over Slater-type orbitals using Fourier transform convolution theorem

dc.contributor.authorOzdogan, T
dc.date.accessioned2020-06-21T15:43:28Z
dc.date.available2020-06-21T15:43:28Z
dc.date.issued2004
dc.identifier.issn0010-0765
dc.identifier.issn1212-6950
dc.identifier.urihttps://doi.org/10.1135/cccc20040279
dc.identifier.urihttps://hdl.handle.net/20.500.12712/21632
dc.descriptionOzdogan, Telhat/0000-0002-0211-770Xen_US
dc.descriptionWOS: 000188928300002en_US
dc.description.abstractAnalytical expressions are presented for two-center overlap integrals over Slater-type orbitals using Fourier transform convolution theorem. The efficiency of calculation of these expressions is compared with those of other methods and good rate of convergence and great numerical stability is obtained for wide range of quantum numbers, orbital exponents and internuclear distances.en_US
dc.language.isoengen_US
dc.publisherInst Organic Chem and Biochemen_US
dc.relation.isversionof10.1135/cccc20040279en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectoverlap integralsen_US
dc.subjectSlater-type orbitalsen_US
dc.subjectFourier transform convolution theoremen_US
dc.subjectSTOen_US
dc.subjectLCAOen_US
dc.subjectquantum chemistryen_US
dc.titleEvaluation of two-center overlap integrals over Slater-type orbitals using Fourier transform convolution theoremen_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume69en_US
dc.identifier.issue2en_US
dc.identifier.startpage279en_US
dc.identifier.endpage291en_US
dc.relation.journalCollection of Czechoslovak Chemical Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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