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 | Schools: | School of Materials Science and Engineering | 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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Mapping of wave packet dynamics at conical intersections by time and frequency resolved fluorescence spectroscopy a computational study.pdf | 7.25 MB | Adobe PDF | View/Open |
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