A Practical Approach to Wave Function Propagation, Hopping Probabilities, and Time Steps in Surface Hopping Calculations
Author:
Affiliation:
1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States
Funder
University of Pennsylvania
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00126
Reference30 articles.
1. Nonadiabatic dynamics with trajectory surface hopping method
2. Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
3. Surface hopping from the perspective of quantum–classical Liouville dynamics
4. Direct ab Initio (Meta-)Surface-Hopping Dynamics
5. Recent Progress in Surface Hopping: 2011–2015
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4. Correction to “A Practical Approach to Wave Function Propagation, Hopping Probabilities, and Time Steps in Surface Hopping Calculations”;Journal of Chemical Theory and Computation;2023-06-21
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