Benchmarking the Surface Hopping Method to Include Nuclear Quantum Effects
Author:
Affiliation:
1. Department of Chemistry, Indian Institute of Technology Bombay, Mumbai 400076, India
Funder
Science and Engineering Research Board
Indian Institute of Technology Bombay
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01065
Reference62 articles.
1. Molecular dynamics with electronic transitions
2. Understanding the Surface Hopping View of Electronic Transitions and Decoherence
3. Role of Solvent Dynamics in Ultrafast Photoinduced Proton-Coupled Electron Transfer Reactions in Solution
4. Nonadiabatic Molecular Dynamics Simulations of the Energy Transfer between Building Blocks in a Phenylene Ethynylene Dendrimer
5. Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
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