GPU-Accelerated State-Averaged Complete Active Space Self-Consistent Field Interfaced with Ab Initio Multiple Spawning Unravels the Photodynamics of Provitamin D3
Author:
Affiliation:
1. Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, United States
2. SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States
Funder
Basic Energy Sciences
U.S. Department of Defense
National Science Foundation
Swiss National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b00970
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