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Time-Resolved Photoelectron Spectra of CS_2: Dynamics at Conical Intersections

Wang, Kwanghsi and McKoy, Vincent and Hockett, Paul and Schuurman, Michael (2014) Time-Resolved Photoelectron Spectra of CS_2: Dynamics at Conical Intersections. Physical Review Letters, 112 (11). Art. No. 113007. ISSN 0031-9007. https://resolver.caltech.edu/CaltechAUTHORS:20140428-161521757

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Abstract

We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS_2. The technique employs wave packet densities obtained with the multiple spawning method in conjunction with geometry- and energy-dependent photoionization matrix elements. The robust agreement of these results with measured molecular-frame photoelectron angular distributions for CS_2 demonstrates that this technique can successfully elucidate, and disentangle, the underlying nuclear and photoionization dynamics around conical intersections in polyatomic molecules.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1103/PhysRevLett.112.113007DOIArticle
http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.113007PublisherArticle
Additional Information:© 2014 American Physical Society. Received 19 May 2013; revised manuscript received 6 January 2014; published 21 March 2014. This work has been supported in part by the National Science Foundation (U.S.) under Grant No. CHE- 0956610. These studies also made use of the resources of the Jet Propulsion Laboratory’s Supercomputing and Visualization Facility. The authors thank A. Stolow for valuable discussions.
Funders:
Funding AgencyGrant Number
NSFCHE-0956610
Issue or Number:11
Classification Code:PACS: 33.60.+q, 82.20.Gk, 82.53.Eb, 82.53.Kp
Record Number:CaltechAUTHORS:20140428-161521757
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20140428-161521757
Official Citation:Wang, K., McKoy, V., Hockett, P., & Schuurman, M. S. (2014). Time-Resolved Photoelectron Spectra of CS2: Dynamics at Conical Intersections. Physical Review Letters, 112(11), 113007.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:45257
Collection:CaltechAUTHORS
Deposited By: Aucoeur Ngo
Deposited On:28 Apr 2014 23:50
Last Modified:03 Oct 2019 06:28

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