Revisiting the Recoherence Problem in the Fewest Switches Surface Hopping Algorithm
Author:
Affiliation:
1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States
Funder
Air Force Office of Scientific Research
David and Lucile Packard Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b03188
Reference48 articles.
1. Molecular dynamics with electronic transitions
2. Charge Transport in Molecular Materials: An Assessment of Computational Methods
3. Nonradiative Quenching of Fluorescence in a Semiconducting Carbon Nanotube: A Time-DomainAb InitioStudy
4. Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules
5. Nonadiabatic Mixed Quantum−Classical Dynamic Simulation of π-Stacked Oligophenylenevinylenes
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