Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping
Author:
Affiliation:
1. Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
2. Institute for Advanced Study, Technische Universität München, Lichtenbergstrasse 2a, D-85748 Garching, Germany
Funder
H2020 European Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5003820
Reference75 articles.
1. Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics
2. Ultrafast Charge Separation in Organic Photovoltaics Enhanced by Charge Delocalization and Vibronically Hot Exciton Dissociation
3. Multi-Electronic-State Molecular Dynamics: A Wave Function Approach with Applications
4. Insights for Light-Driven Molecular Devices from Ab Initio Multiple Spawning Excited-State Dynamics of Organic and Biological Chromophores
5. Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function
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