B-Spline Solution of the Two-Center Dirac Equation in the Electronic Continuum for Relativistic Molecular Photoionization

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dc.contributor.affiliation000000041762408X
dc.contributor.affiliationDepartamento de Química, Universidad Autónoma de Madrid, Madrid, 28049, Spain; Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, via L. Giorgieri 1, Trieste, 34127, Italy; Department of Physics, Lund University, Lund, 22100, Sweden; Department of Physics, Stockholm University, Stockholm, 10691, Sweden; Consiglio Nazionale delle Ricerche - Istituto Officina dei Materiali (CNR-IOM), Trieste, 34149, Italy; Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), Madrid, 28049, Spainen
dc.contributor.authorZapata F.
dc.contributor.authorToffoli D.
dc.contributor.authorDahlström J.M.
dc.contributor.authorLindroth E.
dc.contributor.authorDecleva P.
dc.contributor.authorMartín, Fernando
dc.date.accessioned2025-02-11T16:34:12Z
dc.date.available2025-02-11T16:34:12Z
dc.date.issued2024
dc.identifier.doi10.1021/acs.jctc.4c01232en
dc.identifier.urihttps://hdl.handle.net/20.500.12614/3868
dc.journal.titleJournal of Chemical Theory and Computationen
dc.language.isoenen
dc.page.initial10507en
dc.relation.projectIDTEMPMinisterio de Universidades, MIU; CCC-UAM; Knut och Alice Wallenbergs Stiftelse, (2019.0154); Knut och Alice Wallenbergs Stiftelse; European Cooperation in Science and Technology, COST, (CA18222, PID2022-138288NB-C31, CEX2020-001039-S); European Cooperation in Science and Technology, COST; Universidad Autónoma de Madrid, UAM, (CA1/RSUE/2021-00352); Universidad Autónoma de Madrid, UAM; Olle Engkvist Foundation, (194-0734); Vetenskapsrådet, VR, (2020-03315); Vetenskapsrådet, VR; MSCA H2020, (101034324)
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleB-Spline Solution of the Two-Center Dirac Equation in the Electronic Continuum for Relativistic Molecular Photoionizationen
dc.typeresearch articleen
dc.volume.number20en

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