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dc.contributor.authorAlam, Mehboob
dc.contributor.authorRuud, Kenneth
dc.date.accessioned2020-06-19T08:15:57Z
dc.date.available2020-06-19T08:15:57Z
dc.date.issued2020-06-17
dc.description.abstractWe present an extensive analysis of one- and two-photon absorption processes in some organic host-guest (H-G) complexes using linear and quadratic response theory within the framework of time-dependent density functional theory. For this purpose, we have considered all possible 20 host-guest complexes constructed from 4 host and 5 guest molecules. We have analysed how the one- and two-photon activity of the host and guest molecules are transferred to the respective host-guest complexes and how the electron donating and electron accepting ability of host-guest complexes affect their two-photon activity. Based on an analysis using the concept of channel interference, we have performed an in-depth analysis of the two-photon absorption processes in all these systems and provided a microscopic explanation for their variation among different complexes.en_US
dc.identifier.citationAlam M, Ruud K. Two-photon absorption in host-guest complexes. Molecular Physics. 2020en_US
dc.identifier.cristinIDFRIDAID 1816151
dc.identifier.doi10.1080/00268976.2020.1777335
dc.identifier.issn0026-8976
dc.identifier.issn1362-3028
dc.identifier.urihttps://hdl.handle.net/10037/18603
dc.language.isoengen_US
dc.publisherTaylor & Francisen_US
dc.relation.journalMolecular Physics
dc.relation.projectIDNotur/NorStore: NN4654Ken_US
dc.relation.projectIDNorges forskningsråd: 262695en_US
dc.relation.projectIDinfo:eu-repo/grantAgreement/RCN/SFF/262695/Norway/Hylleraas Centre for Quantum Molecular Sciences//en_US
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2020 The Author(s)en_US
dc.subjectVDP::Mathematics and natural science: 400::Chemistry: 440en_US
dc.subjectVDP::Matematikk og Naturvitenskap: 400::Kjemi: 440en_US
dc.titleTwo-photon absorption in host-guest complexesen_US
dc.type.versionpublishedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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