%0 Book
%T Ultrafast electron dynamics in molecules within density-matrix-based configuration interaction framework
%A Kochetov, Vladislav
%D 2023
%C Rostock
%C Universität Rostock
%G English
%F 1867616874
%O vorgelegt von Vladislav Kochetov
%O Enthält Zeitschriftenartikel
%O GutachterInnen: Sergey I. Bokarev (University of Rostock) ; Oliver Kühn (University of Rostock) ; Jean-Christophe Tremblay (University of Lorraine)
%O Dissertation Universität Rostock 2023 Kumulative Dissertation
%X The 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.<eng>
%L 530
%9 theses
%9 Text
%9 Hochschulschrift
%R 10.18453/rosdok_id00004451
%U https://purl.uni-rostock.de/rosdok/id00004451
%U https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00004451-9
%U https://d-nb.info/1308009976/34
%U https://doi.org/10.18453/rosdok_id00004451