A comparison of surface hopping approaches for capturing metal-molecule electron transfer: A broadened classical master equation versus independent electron surface hopping
Author:
Affiliation:
1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA
Funder
National Science Foundation
Air Force Office of Scientific Research
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5050235
Reference73 articles.
1. Vibrational Promotion of Electron Transfer
2. Conversion of large-amplitude vibration to electron excitation at a metal surface
3. Vibrational lifetimes of molecular adsorbates on metal surfaces
4. Energy transfer at metal surfaces: the need to go beyond the electronic friction picture
5. Electronically non-adiabatic influences in surface chemistry and dynamics
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