Laser-driven electron and spin-state quantum dynamics in transition metal complexes Wang, Huihui , 1980- (VerfasserIn) Vendrell, Oriol (AkademischeR BetreuerIn) Kühn, Oliver , 1964- (AkademischeR BetreuerIn) Bokarev, Sergey I. , 1984- (AkademischeR BetreuerIn) Universität Rostock (Grad-verleihende Institution) Universität Rostock Mathematisch-Naturwissenschaftliche Fakultät (Grad-verleihende Institution) Text theses Text Hochschulschrift 2018 2018 eng electronic resourceremoteComputermedienOnline-Ressource1 Online-Ressource Recent advances in attosecond spectroscopy open the door to the understanding correlated motion of valence and core electrons in molecular systems. In this thesis, the density matrix-based TD-RASCI method is used to study the electron and spin-flip dynamics. The dephasing effect of nuclear vibrations is incorporated implicitly making use of an electronic system/vibrational bath partitioning. We theoretically addressed the ultrafast spin-flip dynamics in a transition metal complex which is triggered by isolated sub-fs soft-X-ray pulses as well as X-ray pulse trains.<eng> vorgelegt von Huihui Wang Die Online-Ausgabe weicht von der Druckausgabe ab. Die Druckausgabe enthält den Volltext der Zeitschriftenartikel Dissertation Universität Rostock 2018 530 538.4 530 http://purl.uni-rostock.de/rosdok/id00002338 https://doi.org/10.18453/rosdok_id00002338 https://nbn-resolving.org/urn:nbn:de:gbv:28-diss2018-0166-0 https://d-nb.info/1293654078/34 Laser-driven electron and spin-state quantum dynamics in transition metal complexes--(DE-627)1041121393 urn:nbn:de:gbv:28-diss2018-0166-0 doi: 10.18453/rosdok_id00002338 ppn: (DE-627)1041002491