Publication:
Reducing and Solving Electric Multipole Moment Integrals

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dc.authorscopusid36859206100
dc.authorscopusid55934959600
dc.contributor.authorYükçü, N.
dc.contributor.authorÖztekin, E.
dc.date.accessioned2020-06-21T14:16:33Z
dc.date.available2020-06-21T14:16:33Z
dc.date.issued2013
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Yükçü] Niyazi, Department of Technical Programs, Sinop Üniversitesi, Sinop, Turkey; [Öztekin] Emin, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkeyen_US
dc.description.abstractElectric multipole moment integrals with the same screening parameters are calculated using Slater type orbitals (STOs) translation formulae and the Fourier transform method. First, multipole moment operators which appear in the three-center electric multipole moment integrals are translated from the 0-center to the b-center. After the translation procedure and using Fourier transform convolution theorem, three-center electric multipole moment integrals were reduced to two-center molecular integrals. Then, the analytical expressions obtained were written in terms of overlap integrals. The numerical values for electric multiple moment integrals are useful especially for high quantum numbers and atomic parameters. © 2013 Elsevier Inc.en_US
dc.identifier.doi10.1016/B978-0-12-411544-6.00009-1
dc.identifier.endpage243en_US
dc.identifier.isbn9780443185946
dc.identifier.isbn9780123747808
dc.identifier.isbn9780123739261
dc.identifier.isbn9780443186639
dc.identifier.isbn0120348381
dc.identifier.isbn9780128238776
dc.identifier.isbn9780120348442
dc.identifier.isbn9780120348435
dc.identifier.isbn9780443186653
dc.identifier.isbn9780120348398
dc.identifier.issn0065-3276
dc.identifier.scopus2-s2.0-84888070631
dc.identifier.scopusqualityQ4
dc.identifier.startpage231en_US
dc.identifier.urihttps://doi.org/10.1016/B978-0-12-411544-6.00009-1
dc.identifier.volume67en_US
dc.identifier.wosWOS:000328999500010
dc.language.isoenen_US
dc.publisherAcademic Press Inc. apjcs@harcourt.comen_US
dc.relation.ispartofAdvances in Quantum Chemistryen_US
dc.relation.ispartofseriesAdvances in Quantum Chemistry
dc.relation.journalProceedings of Mest 2012: Exponential Type Orbitals For Molecular Electronic Structure Theoryen_US
dc.relation.publicationcategoryKitap Bölümü - Uluslararasıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectElectric Multipole Moment Integralsen_US
dc.subjectFourier Transformen_US
dc.subjectMultipole Momentsen_US
dc.subjectOverlap Integralsen_US
dc.subjectSlater Type Orbitalsen_US
dc.titleReducing and Solving Electric Multipole Moment Integralsen_US
dc.typeBook Parten_US
dspace.entity.typePublication

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