Time-resolved photoelectron spectra of CS2: Dynamics at conical intersections. Wang, K., McKoy, V., Hockett, P., & Schuurman, M. Physical Review Letters, 2014. Paper doi abstract bibtex 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. © 2014 American Physical Society.
@Article{Wang2014,
author = {Wang, K.a , McKoy, V.a , Hockett, P.a , Schuurman, M.S.b},
journal = {Physical Review Letters},
title = {Time-resolved photoelectron spectra of CS2: Dynamics at conical intersections},
year = {2014},
number = {11},
volume = {112},
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. © 2014 American Physical Society.},
affiliation = {A. A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, CA 91125, United States; National Research Council of Canada, 100 Sussex Drive, Ottawa, ON K1A 0R6, Canada},
art_number = {113007},
document_type = {Article},
doi = {10.1103/PhysRevLett.112.113007},
source = {Scopus},
timestamp = {2016.03.02},
url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84897470775&partnerID=40&md5=0f54412c7109e24e23e5abba9abf4beb},
}
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