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|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.
|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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Updated on Sep 27, 2021
Updated on Sep 27, 2021
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