TY  - GEN
AV  - public
TI  - Material­specific Simulations of many­body Electron Dynamics
N2  - Beginning with a Density Functional Theory calculation and ending with a full many­body description, the theoretical methods relevant for this thesis are derived.
They are used to simulate the dynamics of the thoroughly studied Nickeloxide crystal under the influence of a driving laser. The conditions in which various excitations are possible are being discussed, as well as how they behave in the time domain and how Auger­-Meitner decay influences this behaviour.
Similar methods are applied to the completely different system of Sulphur-­hexafluoride. It is shown that a tuning laser can increase the effective exchange interaction, which couples various many­-body states. The experimental measurement is reproduced using several the­oretical methods. The presented technique is a contribution to the field of laser controlled chemical reactions.
The last system under consideration is Holmium­-doped Gold. The electron capture spectrum of Holmium is calculated, and the effect of Auger­-Meitner decay and the Gold environment incorporated as a self­-energy. This ab initio approach leads to a novel degree of agreement with the experimental measurement, paving the way to eventually extracting the mass of the electron neutrino from the results.
A1  - Heinze, Simon
UR  - https://archiv.ub.uni-heidelberg.de/volltextserver/30023/
CY  - Heidelberg
Y1  - 2021///
ID  - heidok30023
ER  -