Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/150601
Title: Mapping of wave packet dynamics at conical intersections by time- and frequency-resolved fluorescence spectroscopy : a computational study
Authors: Chen, Lipeng
Gelin, Maxim F.
Zhao, Yang
Domcke, Wolfgang
Keywords: Engineering::Materials
Issue Date: 2019
Source: Chen, L., Gelin, M. F., Zhao, Y. & Domcke, W. (2019). Mapping of wave packet dynamics at conical intersections by time- and frequency-resolved fluorescence spectroscopy : a computational study. Journal of Physical Chemistry Letters, 10(19), 5873-5880. https://dx.doi.org/10.1021/acs.jpclett.9b02208
Journal: Journal of Physical Chemistry Letters
Abstract: Monitoring of wave packet dynamics at conical intersections by time- and frequency-resolved fluorescence spectroscopy has been investigated theoretically for a three-state two-mode model of a conical intersection coupled to a dissipative environment. The ideal and the actually measurable time- and frequency-gated fluorescence spectra are accurately and efficiently simulated by combining the hierarchy equations-of-motion method for dissipative quantum dynamics with the methodology of the equation-of-motion phase-matching approach for the calculation of spectroscopic signals. It is shown that time- and frequency-resolved fluorescence spectra reveal essential aspects of the wave packet dynamics at conical intersections and the effects of environment-induced dissipation. The results of the present work indicate that fluorescence up-conversion spectroscopy with femtosecond time resolution is an efficient tool for the characterization of ultrafast dynamics at conical intersections.
URI: https://hdl.handle.net/10356/150601
ISSN: 1948-7185
DOI: 10.1021/acs.jpclett.9b02208
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.9b02208
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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