Energy-Conserving Surface Hopping for Auger Processes
Author:
Affiliation:
1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States
2. Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00562
Reference43 articles.
1. Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids
2. Interlayer Charge Transport in 2D Lead Halide Perovskites from First Principles
3. Modeling Non-adiabatic Dynamics in Nanoscale and Condensed Matter Systems
4. Velocity Adjustment in Surface Hopping: Ethylene as a Case Study of the Maximum Error Caused by Direction Choice
5. Recommendations for Velocity Adjustment in Surface Hopping
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