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Quantum-chemistry study of the ground and excited state absorption of distyrylbenzene: Multi vs single reference methods

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dc.contributor.affiliation"Madrid Institute for Advanced Studies, IMDEA Nanoscience, Ciudad Universitaria de Cantoblanco, C. Faraday 9, Madrid, 28049, Spain"," Gleb Wataghin Institute of Physics, University of Campinas (UNICAMP), SP, Campinas, Brazil"," Center for Computational Engineering and Sciences (CCES), State University of Campinas (UNICAMP), SP, Campinas, Brazil"," Department for Physical Chemistry, Faculty of Chemistry, University of Valencia, Av. Dr. Moliner 50, Burjassot, Valencia, 46100, Spain"," Institute of Molecular Science, University of Valencia, Paterna, 46980, Spain"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorRoldao J.C.
dc.contributor.authorOliveira E.F.
dc.contributor.authorMilián-Medina B.
dc.contributor.authorGierschner, Johannes
dc.contributor.authorRoca-Sanjuán D.
dc.date.accessioned2022-03-16T16:17:54Z
dc.date.available2022-03-16T16:17:54Z
dc.date.issued2022
dc.identifier.doi10.1063/5.0073189en
dc.identifier.urihttp://hdl.handle.net/20.500.12614/2808
dc.issue.number71091en
dc.journal.titleJournal of Chemical Physicsen
dc.language.isoenen
dc.relation.projectIDTEMP"The work in Madrid and Valencia was supported by the Spanish Ministerio de Economía y Competitividad (MINECO-FEDER Project No. CTQ2017-87054)"," the work in Madrid was further supported by the Severo Ochoa Program for Centers of Excellence in R & D of the MINECO (Grant No. SEV-2016-0686) and by the Campus of International Excellence (CEI) UAM+CSIC. D.R.-S. gratefully acknowledges the MICINN for a “Ramón y Cajal” grant (Reference No. RYC-2015-19234). Computational resources provided by the Centro de Cálculo Científico at Universidad Autónoma de Madrid (CCC-UAM) and by the Excited State Quantum Chemistry Group (QCEXVAL) cluster at Universitat de València are also acknowledged. The authors also thank Liangxuan Wang (Tübingen, Germany) and Javier Carmona-García (València, Spain) for helpful discussions."
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.accessRightsopen accessen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleQuantum-chemistry study of the ground and excited state absorption of distyrylbenzene: Multi vs single reference methodsen
dc.typeresearch articleen
dc.volume.number156en
dspace.entity.typePublication

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