Application of complete orthonormal sets of ??-exponential-type orbitals to accurate ground and excited states calculations of one-electron diatomic molecules using single-zeta approximation

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorAydin, R.
dc.contributor.authorBagci, A.
dc.date.accessioned2025-01-27T20:58:19Z
dc.date.available2025-01-27T20:58:19Z
dc.date.issued2008
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractThe applicability of the complete orthonormal sets of psi(alpha)- exponential- type orbitals introduced by one of the authors to the study of electronic structure of one electron diatomic molecules is demonstrated using single- zeta approximation. As an example of application, the calculations have been performed for s, p and d states of one electron homo- and hetero- nuclear diatomic molecules H-2(+) and HeH2+, respectively. The calculation results are presented. The values for these molecules obtained in eight- digit accuracy are close to the results of solution presented in literature.
dc.identifier.doi10.1088/0256-307X/25/8/030
dc.identifier.endpage2844
dc.identifier.issn0256-307X
dc.identifier.issn1741-3540
dc.identifier.issue8
dc.identifier.scopus2-s2.0-49749101180
dc.identifier.scopusqualityQ1
dc.identifier.startpage2841
dc.identifier.urihttps://doi.org/10.1088/0256-307X/25/8/030
dc.identifier.urihttps://hdl.handle.net/20.500.12428/26676
dc.identifier.volume25
dc.identifier.wosWOS:000258018300030
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIop Publishing Ltd
dc.relation.ispartofChinese Physics Letters
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectSlater-Type Orbitals
dc.subjectOverlap Integrals
dc.subjectWave-Functions
dc.subjectComputation
dc.titleApplication of complete orthonormal sets of ??-exponential-type orbitals to accurate ground and excited states calculations of one-electron diatomic molecules using single-zeta approximation
dc.typeArticle

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