Exact-Factorization-Based Surface Hopping without Velocity Adjustment
Author:
Affiliation:
1. Department of Physics, Rutgers University, Newark, New Jersey 07102, United States
2. University of Münster, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, 48149 Münster, Germany
Funder
Division of Chemistry
Basic Energy Sciences
Studienstiftung des Deutschen Volkes
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.4c00115
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1. Unravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulations
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5. Nonadiabatic Dynamics of Photocatalytic Water Splitting on A Polymeric Semiconductor
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