Libra v5.11.0: kc-RPMD, TSH recipes, polaritonic Hamiltonians, initial CSF and citools module, updated Bohmian module
Libra v5.11.0: kc-RPMD, TSH recipes, polaritonic Hamiltonians, initial CSF and citools module, updated Bohmian module
Libra is a modular software for quantum nonadiabatic dynamics methodology development and applications. It implements a range of quantum, quantum-classical, and semiclassical methodologies for modeling excited states and quantum nonadiabatic processes, including but not limited to a variety of trajectory surface hopping, Ehrenfest, HEOM, and other methodologies. It can be applied to abstract and atomistic systems with thousands of atoms.
If you use this software, please cite it using the metadata from this file.
- University of California, Los Angeles United States
- Georgia Institute of Technology United States
- University of South Carolina System United States
- Budapest University of Technology and Economics Hungary
- Hunan Agricultural University China (People's Republic of)
quantum trajectories, Ehrenfest, DVR, exact factorization, trajectory surface hopping, solar energy materials, quantum dynamics, HEOM, nonadiabatic dynamics, excited states
quantum trajectories, Ehrenfest, DVR, exact factorization, trajectory surface hopping, solar energy materials, quantum dynamics, HEOM, nonadiabatic dynamics, excited states
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