Published March 21, 2014
| Published
Journal Article
Open
Time-Resolved Photoelectron Spectra of CS_2: Dynamics at Conical Intersections
Chicago
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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.
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.Attached Files
Published - PhysRevLett.112.113007.pdf
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PhysRevLett.112.113007.pdf
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Additional details
- Eprint ID
- 45257
- Resolver ID
- CaltechAUTHORS:20140428-161521757
- NSF
- CHE-0956610
- Created
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2014-04-28Created from EPrint's datestamp field
- Updated
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2021-11-10Created from EPrint's last_modified field