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Semiclassical Description of Nonadiabatic Quantum Dynamics
Abstract
A semiclassical approach is presented that allows us to extend the usual Van Vleck--Gutzwiller formulation to the description of nonadiabatic quantum dynamics on coupled potential-energy surfaces. Based on Schwinger's theory of angular momentum, the formulation employs an exact mapping of the discrete quantum variables onto continuous degrees of freedom. The resulting dynamical problem is evaluated through a semiclassical initial-value representation of the time-dependent propagator. As a first application we have performed semiclassical simulations for a spin-boson model, which reproduce the exact quantum-mechanical results quite accurately.
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Cites
Field Dependence of the Intrinsic Domain Magnetization of a Ferromagnet
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Gutzwiller, M. C. (1990) · Interdisciplinary Applied Mathematics · doi:10.1007/978-1-4612-0983-6 · Cited by 3,914
Generalized Coherent States and Their Applications
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Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2
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A classical analog for electronic degrees of freedom in nonadiabatic collision processes
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A semiclasical justification for the use of non-spreading wavepackets in dynamics calculations
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Classical S Matrix: Numerical Application to Inelastic Collisions
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Huelga, S. F., & Plenio, M. B. (2013) · Contemporary Physics · doi:10.1080/00405000.2013.829687 · Cited by 568
Newton‐X: a surface‐hopping program for nonadiabatic molecular dynamics
Barbatti, M., Ruckenbauer, M., Plasser, F., Pittner, J., Granucci, G., Persico, M., & Lischka, H. (2014) · WIREs Computational Molecular Science · doi:10.1002/wcms.1158 · Cited by 507
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
Coherence in Energy Transfer and Photosynthesis
Chenu, A., & Scholes, G. D. (2015) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-040214-121713 · Cited by 420
Metadata
- Authors
- Stock, G., & Thoss, M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1997-01-27
- Volume
- 78
- Issue
- 4
- Pages
- 578-581
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2052932598
- Cited by
- 585
- References
- 20
- FWCI
- 13.67
- Type
- journal article
- Language
- en
- Open access
- closed
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Data sources
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.
