mycoreobjectrosdok_disshab_0000003062rosdok_disshab_0000003062rosdokdisshabrosdok_derivate_00002118172023-10-31T11:00:02.662Z2023-10-25T09:50:42.565ZMCRJANITOReditorMSpublished1rosdok_derivate_0000211817truetruederivate_types:fulltextVolltextfulltextwf_edit_epub wf_register_epubstate:publishedstate:publishedveröffentlichtpublishedrosdok/id000044511867616874Oau2023-10-252023-10-25T09:59:27ZrdaConverted from PICA to MODS using Pica2MODS XSLT Transformer 2.8 [SCM: "0dd72eb2002cd5e1d4341cacf34e92f44f7894b4" "v2.8" "2023-10-12T16:45:19+0200"] with mode 'DEFAULT'.DissertationHochschulschriftUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkThe main goal of this thesis is to present the results of work concerning photon-induced ultrafast spin dynamics being theoretically modeled within the framework of ab-initio calculations. The effect of chemical structure on the ultrafast spin-flip dynamics in core-excited states of transition metal complexes has been studied. Detailed analysis of spin-orbit coupling-driven dynamics in core-excited states, based on the preselection of states and utilizing the Wigner-Eckart theorem, is conducted. A general framework to numerically simulate the ultrafast electron dynamics was developed.VladislavKochetov1995 -VerfasserInaut13065952310000-0002-9059-2948Sergey I.Bokarev1984 -AkademischeR BetreuerIndgs12105607980000-0003-0779-5013University of RostockOliverKühn1964 -AkademischeR BetreuerIndgs1410564870000-0002-5132-2961University of RostockJean ChristopheTremblayAkademischeR BetreuerIndgs11675323410000-0001-8021-706338329-6Universität Rostock1419 -Grad-verleihende Institutiondgg2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgghttps://purl.uni-rostock.de/rosdok/id00004451urn:nbn:de:gbv:28-rosdok_id00004451-910.18453/rosdok_id00004451530 PhysikMathematisch-Naturwissenschaftliche Fakultätalle Rechte vorbehaltenNutzungsrechte erteiltLizenz Metadaten: CC0frei zugänglich (Open Access)en2023Universität RostockRostockmonographic202320232023Universitätsbibliothek RostockRostock2023Universitätsbibliothek Rostockhttps://purl.uni-rostock.de/rosdok/id00004451Enthält ZeitschriftenartikelSergey I. Bokarev (University of Rostock) ; Oliver Kühn (University of Rostock) ; Jean-Christophe Tremblay (University of Lorraine)[{"name":"Bokarev, Sergey I.","affil":"University of Rostock"},{"name":"Kühn, Oliver","affil":"University of Rostock"},{"name":"Tremblay, Jean-Christophe","affil":"University of Lorraine"}]vorgelegt von Vladislav KochetovBokarev, Sergey I.University of RostockKühn, OliverUniversity of RostockTremblay, Jean-ChristopheUniversity of Lorrainedoctype:epubdoctype:epubDokumenttypDocument typedoctype:epub.dissertationdoctype:epub.dissertationDissertationdoctoral thesisdiniPublType:doctoralThesis diniPublType2022:PhDThesis XMetaDissPlusThesisLevel:thesis.doctoralinfo:eu-repo/semantics/doctoralThesisdocumentnatureOfContent:ppn_105825778natureOfContent:ppn_105825778HochschulschriftdiniPublType2022:DoctoralThesisdiniPublType2022:DoctoralThesisDissertation oder HabilitationDoctoral thesisDRIVERdiniPublType2022:PhDThesisdiniPublType2022:PhDThesisDissertationPhD thesisKDSF (Pu34)XMetaDissPlusThesisLevel:thesis.doctoralXMetaDissPlusThesisLevel:thesis.doctoralDoktorarbeitdoctoral thesisSDNB:530SDNB:530530 Physik530 Physicsinstitution:unirostockinstitution:unirostockUniversität RostockUniversity of RostockUniversität RostockUniversität RostockUni.Rostockhttp://d-nb.info/gnd/38329-6institution:unirostock.mnfinstitution:unirostock.mnfMathematisch-Naturwissenschaftliche FakultätFaculty of Mathematics and Natural SciencesUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMathematisch-Natur-<br />wissenschaftliche FakultätUni.Rostock.Fakultaet.MNFhttp://d-nb.info/gnd/2147083-2licenseinfo:worklicenseinfo:workWerkworklicenseinfo:work.rightsreservedlicenseinfo:work.rightsreservedalle Rechte vorbehaltenall rights reserved/creativecommons/r/reserved/0.9/88x31.png[DE-28]Urheberrechtsschutz 1.0$gRights Statements$uhttp://rightsstatements.org/vocab/InC/1.0/http://rightsstatements.org/vocab/InC/1.0/http://rightsstatements.org/vocab/InC/1.0/licenseinfo:depositlicenseinfo:depositVeröffentlichungsgenehmigungpermission to storelicenseinfo:deposit.rightsgrantedlicenseinfo:deposit.rightsgrantedNutzungsrechte erteiltrights grantedlicenseinfo:metadatalicenseinfo:metadataLizenzen für Metadatenlicenseinfo:metadata.cc0licenseinfo:metadata.cc0Lizenz Metadaten: CC0license metadata: CC0/creativecommons/p/zero/1.0/88x31.pnghttps://creativecommons.org/publicdomain/zero/1.0/accesscondition:openaccessaccesscondition:openaccessfrei zugänglich (Open Access)open accesshttp://purl.org/coar/access_right/c_abf2OAfreeinfo:eu-repo/semantics/openAccess[DE-28]Open Access$gControlled Vocabulary for Access Rights$uhttp://purl.org/coar/access_right/c_abf2rfc5646:enrfc5646:enEnglischEnglishengengUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkgnd:1306595231orcid:0000-0002-9059-2948gnd:1210560798orcid:0000-0003-0779-5013gnd:141056487orcid:0000-0002-5132-2961gnd:1167532341orcid:0000-0001-8021-7063gnd:38329-6gnd:2147083-2gnd:1306595231orcid:0000-0002-9059-2948gnd:1210560798orcid:0000-0003-0779-5013gnd:141056487orcid:0000-0002-5132-2961gnd:1167532341orcid:0000-0001-8021-7063gnd:38329-6gnd:2147083-2rosdok_disshab_0000003062-d2448306e52gnd:1306595231orcid:0000-0002-9059-2948Vladislav KochetovVladislav Kochetovrosdok_disshab_0000003062-d2448306e68gnd:1210560798orcid:0000-0003-0779-5013Sergey I. BokarevSergey I. Bokarevrosdok_disshab_0000003062-d2448306e85gnd:141056487orcid:0000-0002-5132-2961Oliver KühnOliver Kühnrosdok_disshab_0000003062-d2448306e102gnd:1167532341orcid:0000-0001-8021-7063Jean Christophe TremblayJean Christophe Tremblayrosdok_disshab_0000003062-d2448306e117gnd:38329-6Universität RostockUniversität Rostockrosdok_disshab_0000003062-d2448306e128gnd:2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätVladislav KochetovSergey I. BokarevOliver KühnJean Christophe TremblayUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätVladislav KochetovSergey I. BokarevOliver KühnJean Christophe TremblayUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätVladislav KochetovRostockUniversität Rostockepub.dissertationhttps://purl.uni-rostock.de/rosdok/id00004451urn:nbn:de:gbv:28-rosdok_id00004451-910.18453/rosdok_id00004451The main goal of this thesis is to present the results of work concerning photon-induced ultrafast spin dynamics being theoretically modeled within the framework of ab-initio calculations. The effect of chemical structure on the ultrafast spin-flip dynamics in core-excited states of transition metal complexes has been studied. Detailed analysis of spin-orbit coupling-driven dynamics in core-excited states, based on the preselection of states and utilizing the Wigner-Eckart theorem, is conducted. A general framework to numerically simulate the ultrafast electron dynamics was developed.20232023Enthält ZeitschriftenartikelSergey I. Bokarev (University of Rostock) ; Oliver Kühn (University of Rostock) ; Jean-Christophe Tremblay (University of Lorraine)[{"name":"Bokarev, Sergey I.","affil":"University of Rostock"},{"name":"Kühn, Oliver","affil":"University of Rostock"},{"name":"Tremblay, Jean-Christophe","affil":"University of Lorraine"}]vorgelegt von Vladislav Kochetovepub.dissertation1 Kochetov_Dissertation_2023.pdf 25866669 7d5d85cb20a5eb85432b10eb1f4452aa rosdok/id000044511867616874Oau2023-10-252023-10-25T09:59:27ZrdaConverted from PICA to MODS using Pica2MODS XSLT Transformer 2.8 [SCM: "0dd72eb2002cd5e1d4341cacf34e92f44f7894b4" "v2.8" "2023-10-12T16:45:19+0200"] with mode 'DEFAULT'.DissertationHochschulschriftUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkThe main goal of this thesis is to present the results of work concerning photon-induced ultrafast spin dynamics being theoretically modeled within the framework of ab-initio calculations. The effect of chemical structure on the ultrafast spin-flip dynamics in core-excited states of transition metal complexes has been studied. Detailed analysis of spin-orbit coupling-driven dynamics in core-excited states, based on the preselection of states and utilizing the Wigner-Eckart theorem, is conducted. A general framework to numerically simulate the ultrafast electron dynamics was developed.VladislavKochetov1995 -VerfasserInaut13065952310000-0002-9059-2948Sergey I.Bokarev1984 -AkademischeR BetreuerIndgs12105607980000-0003-0779-5013University of RostockOliverKühn1964 -AkademischeR BetreuerIndgs1410564870000-0002-5132-2961University of RostockJean ChristopheTremblayAkademischeR BetreuerIndgs11675323410000-0001-8021-706338329-6Universität Rostock1419 -Grad-verleihende Institutiondgg2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgghttps://purl.uni-rostock.de/rosdok/id00004451urn:nbn:de:gbv:28-rosdok_id00004451-910.18453/rosdok_id00004451530 PhysikMathematisch-Naturwissenschaftliche Fakultätalle Rechte vorbehaltenNutzungsrechte erteiltLizenz Metadaten: CC0frei zugänglich (Open Access)en2023Universität RostockRostockmonographic202320232023Universitätsbibliothek RostockRostock2023Universitätsbibliothek Rostockhttps://purl.uni-rostock.de/rosdok/id00004451Enthält ZeitschriftenartikelSergey I. Bokarev (University of Rostock) ; Oliver Kühn (University of Rostock) ; Jean-Christophe Tremblay (University of Lorraine)[{"name":"Bokarev, Sergey I.","affil":"University of Rostock"},{"name":"Kühn, Oliver","affil":"University of Rostock"},{"name":"Tremblay, Jean-Christophe","affil":"University of Lorraine"}]vorgelegt von Vladislav Kochetov Bokarev, Sergey I. University of Rostock Kühn, Oliver University of Rostock Tremblay, Jean-Christophe University of Lorraine 2023-10-25T09:50:42.565Z 2023-10-31T11:00:02.662Z 2023-11-10T11:00:02.682Z editorMS {"identifier":"rosdok/id00004451","type":"local_id","additional":"","service":"MCRLocalID","created":"2023-10-25T09:50:42.591Z"} {"identifier":"https://purl.uni-rostock.de/rosdok/id00004451","type":"purl","additional":"","service":"RosDokPURL","created":"2023-10-25T09:50:42.614Z","registrationStarted":"2023-10-25T09:59:36.145Z"} {"identifier":"10.18453/rosdok_id00004451","type":"doi","additional":"","service":"RosDokDOI","created":"2023-10-25T09:50:42.622Z","registrationStarted":"2023-10-25T09:59:35.905Z","registered":"2023-10-25T09:59:37.229Z"} {"identifier":"urn:nbn:de:gbv:28-rosdok_id00004451-9","type":"dnbUrn","additional":"","service":"RosDokURN","created":"2023-10-25T09:50:42.607Z","registered":"2023-10-30T23:52:26.597Z"} MCRJANITORfulltextfile/rosdok_disshab_0000003062/rosdok_derivate_0000211817/Kochetov_Dissertation_2023.pdfUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkgnd:1306595231orcid:0000-0002-9059-2948gnd:1210560798orcid:0000-0003-0779-5013gnd:141056487orcid:0000-0002-5132-2961gnd:1167532341orcid:0000-0001-8021-7063gnd:38329-6gnd:2147083-2gnd:1306595231orcid:0000-0002-9059-2948gnd:1210560798orcid:0000-0003-0779-5013gnd:141056487orcid:0000-0002-5132-2961gnd:1167532341orcid:0000-0001-8021-7063gnd:38329-6gnd:2147083-2rosdok_disshab_0000003062-d2448306e52gnd:1306595231orcid:0000-0002-9059-2948Vladislav KochetovVladislav Kochetovrosdok_disshab_0000003062-d2448306e68gnd:1210560798orcid:0000-0003-0779-5013Sergey I. BokarevSergey I. Bokarevrosdok_disshab_0000003062-d2448306e85gnd:141056487orcid:0000-0002-5132-2961Oliver KühnOliver Kühnrosdok_disshab_0000003062-d2448306e102gnd:1167532341orcid:0000-0001-8021-7063Jean Christophe TremblayJean Christophe Tremblayrosdok_disshab_0000003062-d2448306e117gnd:38329-6Universität RostockUniversität Rostockrosdok_disshab_0000003062-d2448306e128gnd:2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätVladislav KochetovSergey I. BokarevOliver KühnJean Christophe TremblayUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätVladislav KochetovSergey I. BokarevOliver KühnJean Christophe TremblayUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätVladislav KochetovRostockUniversität Rostockepub.dissertationhttps://purl.uni-rostock.de/rosdok/id00004451urn:nbn:de:gbv:28-rosdok_id00004451-910.18453/rosdok_id00004451The main goal of this thesis is to present the results of work concerning photon-induced ultrafast spin dynamics being theoretically modeled within the framework of ab-initio calculations. The effect of chemical structure on the ultrafast spin-flip dynamics in core-excited states of transition metal complexes has been studied. Detailed analysis of spin-orbit coupling-driven dynamics in core-excited states, based on the preselection of states and utilizing the Wigner-Eckart theorem, is conducted. A general framework to numerically simulate the ultrafast electron dynamics was developed.20232023Enthält ZeitschriftenartikelSergey I. Bokarev (University of Rostock) ; Oliver Kühn (University of Rostock) ; Jean-Christophe Tremblay (University of Lorraine)[{"name":"Bokarev, Sergey I.","affil":"University of Rostock"},{"name":"Kühn, Oliver","affil":"University of Rostock"},{"name":"Tremblay, Jean-Christophe","affil":"University of Lorraine"}]vorgelegt von Vladislav Kochetov[xslt]Saxonrosdok/id00004451https://purl.uni-rostock.de/rosdok/id00004451186761687410.18453/rosdok_id00004451urn:nbn:de:gbv:28-rosdok_id00004451-9Vladislav KochetovKochetov VladislavUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkDissertationdoctoral thesisUniversität Rostock, 2023The main goal of this thesis is to present the results of work concerning photon-induced ultrafast spin dynamics being theoretically modeled within the framework of ab-initio calculations. The effect of chemical structure on the ultrafast spin-flip dynamics in core-excited states of transition metal…Vladislav KochetovUltrafast electron dynamics in molecules within density-matrix-based configuration interaction frameworkUniversitätsbibliothek Rostockhttps://purl.uni-rostock.de/rosdok/id00004451VladislavKochetov1995 -VerfasserInaut13065952310000-0002-9059-2948Sergey I.Bokarev1984 -AkademischeR BetreuerIndgs12105607980000-0003-0779-5013University of RostockOliverKühn1964 -AkademischeR BetreuerIndgs1410564870000-0002-5132-2961University of RostockJean ChristopheTremblayAkademischeR BetreuerIndgs11675323410000-0001-8021-706338329-6Universität Rostock1419 -Grad-verleihende Institutiondgg2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgg[purl]https://purl.uni-rostock.de/rosdok/id00004451[urn]urn:nbn:de:gbv:28-rosdok_id00004451-9[doi]10.18453/rosdok_id00004451open_access20232023epoch:21th_centuryrfc5646:endoctype:epub.dissertationaccesscondition:openaccessSDNB:530institution:unirostock.mnfstate:published