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Time-resolved photoelectron spectra of CS2: dynamics at conical intersections.

Authors
  • Wang, Kwanghsi
  • McKoy, Vincent
  • Hockett, Paul
  • Schuurman, Michael S
Type
Published Article
Journal
Physical Review Letters
Publisher
American Physical Society
Publication Date
Mar 21, 2014
Volume
112
Issue
11
Pages
113007–113007
Identifiers
PMID: 24702364
Source
Medline
License
Unknown

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 CS2. 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 CS2 demonstrates that this technique can successfully elucidate, and disentangle, the underlying nuclear and photoionization dynamics around conical intersections in polyatomic molecules.

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