Nonadiabatic molecular dynamics with decoherence and detailed balance under a density matrix ensemble formalism
Author:
Funder
Office of Science
Basic Energy Sciences
U.S. Department of Energy
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.99.224303/fulltext
Reference59 articles.
1. Ab Initio Nonadiabatic Quantum Molecular Dynamics
2. Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
3. Breaking the Phonon Bottleneck in PbSe and CdSe Quantum Dots: Time-Domain Density Functional Theory of Charge Carrier Relaxation
4. Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials
5. Ab initio nonadiabatic molecular dynamics investigation on the dynamics of photogenerated spin hole current in Cu-doped MoS2
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