%0 Book
%T Trajectory-based approaches to vibronic spectroscopy of molecular systems
%A Karsten, Sven
%D 2018
%C Rostock
%C Universität Rostock
%G English
%F 1669243362
%O vorgelegt von Sven Karsten
%O Enthält Zeitschriftenartikel
%O GutachterInnen: Oliver Kühn (Universität Rostock, Institut für Physik) ; Mario Barbatti (Aix-Marseille Université, Institut de Chimie Radicalaire) ; Eitan Geva (University of Michigan, Department of Chemistry)
%O Dissertation Universität Rostock 2019
%X The goal of this thesis is to bridge the gap between the two standard theoretical approaches to vibronic spectroscopy via trajectory-based methods. As the starting point, a generalized time-correlation function is introduced and the ring-polymer molecular dynamics method is generalized to vibronic transitions, yielding an improvement over known classical approximations. Further, the vibronic spectrum is evaluated via the Matsubara dynamics. Employing an ad-hoc modification, the sign problem of the Matsubara method can be circumvented and the spectra of model systems are adequately simulated.<eng>
%L 530
%9 theses
%9 Text
%9 Hochschulschrift
%R 10.18453/rosdok_id00002484
%U http://purl.uni-rostock.de/rosdok/id00002484
%U https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00002484-6
%U https://d-nb.info/1293656739/34
%U https://doi.org/10.18453/rosdok_id00002484