Current-Induced Forces for Nonadiabatic Molecular Dynamics
Author:
Affiliation:
1. Department of Physics, University of California San Diego, La Jolla, California 92093, United States
2. Department of Chemistry & Biochemistry, University of California San Diego, La Jolla, California 92093, United States
Funder
Division of Chemistry
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b09251
Reference50 articles.
1. Electron–Hole Pair Effects in Polyatomic Dissociative Chemisorption: Water on Ni(111)
2. A Surface Hopping View of Electrochemistry: Non-Equilibrium Electronic Transport through an Ionic Solution with a Classical Master Equation
3. Photo-induced 1,3-cyclohexadiene ring opening reaction: Ab initio on-the-fly nonadiabatic molecular dynamics simulation
4. Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy
5. Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra
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