10.18453/rosdok_id00004451 Kochetov, Vladislav Vladislav Kochetov http://d-nb.info/gnd/1306595231 https://orcid.org/0000-0002-9059-2948 Universität Rostock 2023 530 Physics 2023 en https://purl.uni-rostock.de/rosdok/id00004451 urn:nbn:de:gbv:28-rosdok_id00004451-9 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.