Second-Order Hyperpolarizability and Susceptibility Calculations of a Series of Ruthenium Complexes

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dc.contributor.authorKarakas, A.
dc.contributor.authorDag, T.
dc.contributor.authorTaser, M.
dc.contributor.authorFillaut, J-L
dc.contributor.authorMigalska-Zalas, A.
dc.contributor.authorSahraoui, B.
dc.date.accessioned2020-03-26T18:43:18Z
dc.date.available2020-03-26T18:43:18Z
dc.date.issued2013
dc.departmentSelçuk Üniversitesien_US
dc.description15th International Conference on Transparent Optical Networks (ICTON) -- JUN 23-27, 2013 -- Cartagena, SPAINen_US
dc.description.abstractThe ab-initio quantum mechanical calculations (time-dependent Hartree-Fock (TDHF) method) of a series of ruthenium complexes have been carried out to compute electric dipole moment (mu), dispersion-free and frequency-dependent first hyperpolarizability (beta) values. The one-photon absorption (OPA) characterizations have been also theoretically investigated by means of configuration interaction (CI) method. Our calculated results on the maximum OPA wavelengths and second-order hyperpolarizabilities are in good agreement with the observed values in the literature. According to the results of the TDHF calculations, the investigated molecules exhibit non-zero beta values, and they might have microscopic second-order nonlinear optical (NLO) behaviour. We also give the computational results of the frequency-dependent second-order susceptibilities (X-(2)) for the examined compounds. The calculated results on dynamic (X-(2)). are quite consistent with the previous experimental observations.en_US
dc.description.sponsorshipUniv Politecnica Cartagena, IEEE, IEEE Photon Soc, Natl Inst Telecommunicat, Inst Lacznosci, Escuela Tecnica Super Ingn Telecomunicacen_US
dc.identifier.isbn978-1-4799-0683-3
dc.identifier.issn2162-7339en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.urihttps://hdl.handle.net/20.500.12395/29804
dc.identifier.wosWOS:000333178300228en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherIEEEen_US
dc.relation.ispartof2013 15TH INTERNATIONAL CONFERENCE ON TRANSPARENT OPTICAL NETWORKS (ICTON 2013)en_US
dc.relation.ispartofseriesInternational Conference on Transparent Optical Networks-ICTON
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectelectric dipole momenten_US
dc.subjectfirst hyperpolarizabilityen_US
dc.subjecttime-dependent Hartree-Focken_US
dc.subjectconfiguration interactionen_US
dc.subjectelectro-optics Pockels effecten_US
dc.titleSecond-Order Hyperpolarizability and Susceptibility Calculations of a Series of Ruthenium Complexesen_US
dc.typeConference Objecten_US

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