TY  - BOOK
AU  - Kochetov, Vladislav
PY  - 2023
DA  - 2023//
TI  - Ultrafast electron dynamics in molecules within density-matrix-based configuration interaction framework
PB  - Universität Rostock
CY  - Rostock
AB  - 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>
UR  - https://purl.uni-rostock.de/rosdok/id00004451
UR  - https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00004451-9
UR  - https://d-nb.info/1308009976/34
UR  - https://doi.org/10.18453/rosdok_id00004451
DO  - 10.18453/rosdok_id00004451
LA  - English
N1  - vorgelegt von Vladislav Kochetov
ID  - 1867616874
ER  -