| title: |
| Ultrafast electron dynamics in molecules within density-matrix-based configuration
interaction framework |
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| contributing persons: |
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| contributing corporate bodies: |
| Universität Rostock[Grad-verleihende Institution] |
 |
38329-6 |
| Universität Rostock. Mathematisch-Naturwissenschaftliche Fakultät[Grad-verleihende Institution] |
|
2147083-2 |
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| abstract: |
|
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.
[English] |
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| document type: |
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| institution: |
| Faculty of Mathematics and Natural Sciences |
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| language: |
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| subject class (DDC): |
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publication /
production: |
Rostock
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Rostock: Universität Rostock
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|
2023
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| statement of responsibility: |
| vorgelegt von Vladislav Kochetov |
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| notes: |
| Enthält Zeitschriftenartikel |
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| identifiers: |
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| access condition: |
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| license/rights statement: |
all rights reserved
This work may only be used under the terms of the German Copyright Law (Urheberrechtsgesetz). |
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| RosDok id: |
rosdok_disshab_0000003062 |
| created / modified: |
25.10.2023 / 31.10.2023
|
| metadata license: |
The metadata of this document was dedicated to the public domain
(CC0 1.0 Universal Public Domain Dedication). |
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