Publikation: Dissertationsschrift

Trajectory-based approaches to vibronic spectroscopy of molecular systems

Grunddaten
Abstract
Autoren
Einrichtung

Grunddaten

Titel	Trajectory-based approaches to vibronic spectroscopy of molecular systems
Erscheinungsjahr	2018
Verlag	Universität Rostock
Verlagsort	Rostock
Seitenzahl	182
Publikationsform	Druckschrift
Publikationsart	Dissertationsschrift
Sprache	Englisch
Letzte Änderung	07.08.2019 06:03:49
Bearbeitungsstatus	durch UB Rostock abschließend validiert
Dauerhafte URL	http://purl.uni-rostock.de/fodb/pub/61530
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Abstract

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.

Autor

Karsten, Sven

Einrichtung

MNF/Institut für Physik (IfPH)