Publication:
Calculation of Electric Multipole Moment Integrals with the Different Screening Parameters via the Fourier Transform Method

Simple item page
dc.authorscopusid36859206100
dc.authorscopusid46861529100
dc.authorscopusid6603855150
dc.contributor.authorYükçü, N.
dc.contributor.authorŞenlik, I.
dc.contributor.authorÖztekin, E.
dc.date.accessioned2020-06-21T14:28:13Z
dc.date.available2020-06-21T14:28:13Z
dc.date.issued2012
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Yükçü] Niyazi, Department of Technical Programs, Sinop Üniversitesi, Sinop, Turkey; [Şenlik] Irfan, Department of Electrical and Electronic Engineering, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Öztekin] E., Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractThree-center electric multipole moment integrals over Slater-type orbitals (STOs) can be evaluated by translating the orbitals on one center to the other and reducing the system to an expansion of two-center integrals. These are then evaluated using Fourier transforms. The resulting expression depends on the overlap integrals that can be evaluated with the greatest ease. They involve expressions for STO with different screening parameters that are known analytically. This work gives the overall expressions analytically in a compact form, based on Gegenbauer polynomials. © 2011 Wiley Periodicals, Inc.en_US
dc.identifier.doi10.1002/qua.23033
dc.identifier.endpage425en_US
dc.identifier.issn0020-7608
dc.identifier.issue2en_US
dc.identifier.scopus2-s2.0-83455245752
dc.identifier.scopusqualityQ2
dc.identifier.startpage414en_US
dc.identifier.urihttps://doi.org/10.1002/qua.23033
dc.identifier.volume112en_US
dc.identifier.wosWOS:000298595800007
dc.identifier.wosqualityQ2
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.ispartofInternational Journal of Quantum Chemistryen_US
dc.relation.journalInternational Journal of Quantum Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectElectric Multipole Moment Integralsen_US
dc.subjectFourier Transformen_US
dc.subjectOverlap Integralsen_US
dc.subjectSlater-Type Orbitalsen_US
dc.titleCalculation of Electric Multipole Moment Integrals with the Different Screening Parameters via the Fourier Transform Methoden_US
dc.typeArticleen_US
dspace.entity.typePublication

Files

Collections

Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu