The DOI matches its Crossref record; 16 of the 16 references it cites were found in a registry or an index.
Mixed quantum-classical dynamics
Abstract
Mixed quantum-classical equations of motion are derived for a quantum subsystem of light (mass m) particles coupled to a classical bath of massive (mass M) particles. The equation of motion follows from a partial Wigner transform over the bath degrees of freedom of the Liouville equation for the full quantum system, followed by an expansion in the small parameter μ=(m/M)1/2 in analogy with the theory of Brownian motion. The resulting mixed quantum-classical Liouville equation accounts for the coupled evolution of the subsystem and bath. The quantum subsystem is represented in an adiabatic (or other) basis and the series solution of the Liouville equation leads to a representation of the dynamics in an ensemble of surface-hopping trajectories. A generalized Pauli master equation for the evolution of the diagonal elements of the density matrix is derived by projection operator methods and its structure is analyzed in terms of surface-hopping trajectories.
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Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
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Understanding the Surface Hopping View of Electronic Transitions and Decoherence
Subotnik, J. E., Jain, A., Landry, B., Petit, A., Ouyang, W., & Bellonzi, N. (2016) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-040215-112245 · Cited by 438
Multireference Electron Correlation Methods: Journeys along Potential Energy Surfaces
Park, J. W., Al-Saadon, R., MacLeod, M. K., Shiozaki, T., & Vlaisavljevich, B. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.9b00496 · Cited by 155
Tanaka, M., & Tanimura, Y. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3428674 · Cited by 101
Metadata
- Authors
- Kapral, R., & Ciccotti, G.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1999-05-08
- Volume
- 110
- Issue
- 18
- Pages
- 8919-8929
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2083318404
- Cited by
- 678
- References
- 16
- FWCI
- 8.08
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
