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This content will become publicly available on April 24, 2019

Title: Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations

Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [3] ;  [4] ; ORCiD logo [5] ;  [4] ; ORCiD logo [6]
  1. Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA, NYU Shanghai, 1555 Century Avenue, Shanghai 200122, China, NYU-ECNU Center for Computational Chemistry at NYU Shanghai, 3663 Zhongshan Road North, Shanghai 200062, China, Department of Chemistry, New York University, New York, New York 10003, USA
  2. Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA, Institute for Molecular Science, Myodaji, Okazaki, Aichi 444-8585, Japan, School of Physical Sciences, The Graduate University for Advanced Studies, Okazaki, Aichi 444-8585, Japan
  3. National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6, Canada, Department of Chemistry, University of Ottawa, Ottawa, Ontario K1A 0R6, Canada
  4. National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6, Canada, Department of Chemistry, University of Ottawa, Ottawa, Ontario K1A 0R6, Canada, Department of Physics, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada
  5. National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6, Canada, Department of Physics, AlbaNova University Center, Stockholm University, 106 91 Stockholm, Sweden
  6. Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA
Publication Date:
Grant/Contract Number:
AMOS Program
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 16; Related Information: CHORUS Timestamp: 2018-04-24 10:48:54; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1434395