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Updated: May 1, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
Published on: May 29, 2018
Time-resolved photoelectron spectra of CS2: dynamics at conical intersections
Kwanghsi Wang1, Vincent McKoy1, Paul Hockett2
1A. A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125, USA.
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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