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Title: Extended quantum jump description of vibronic two-dimensional spectroscopy

We calculate two-dimensional (2D) vibronic spectra for a model system involving two electronic molecular states. The influence of a bath is simulated using a quantum-jump approach. We use a method introduced by Makarov and Metiu [J. Chem. Phys. 111, 10126 (1999)] which includes an explicit treatment of dephasing. In this way it is possible to characterize the influence of dissipation and dephasing on the 2D-spectra, using a wave function based method. The latter scales with the number of stochastic runs and the number of system eigenstates included in the expansion of the wave-packets to be propagated with the stochastic method and provides an efficient method for the calculation of the 2D-spectra.
Authors:
; ; ; ;  [1] ; ;  [2]
  1. Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Campus Nord, Emil-Fischer-St. 42, 97074 Würzburg (Germany)
  2. Max-Planck-Institute for the Physics of Complex Systems, Noethnitzer St. 38, D-01187 Dresden (Germany)
Publication Date:
OSTI Identifier:
22415909
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 21; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; EIGENSTATES; ELECTRONIC STRUCTURE; EMISSION SPECTRA; EMISSION SPECTROSCOPY; MOLECULES; STOCHASTIC PROCESSES; TWO-DIMENSIONAL SYSTEMS; WAVE FUNCTIONS; WAVE PACKETS; WAVE PROPAGATION