The DOI matches its Crossref record; 124 of the 124 references it cites were found in a registry or an index.
Understanding the Surface Hopping View of Electronic Transitions and Decoherence
Open accessAbstract
We present a current, up-to-date review of the surface hopping methodology for solving nonadiabatic problems, 25 years after Tully published the fewest switches surface hopping algorithm. After reviewing the original motivation for and failures of the algorithm, we give a detailed examination of modern advances, focusing on both theoretical and practical issues. We highlight how one can partially derive surface hopping from the Schrödinger equation in the adiabatic basis, how one can change basis within the surface hopping algorithm, and how one should understand and apply the notions of decoherence and wavepacket bifurcation. The question of time reversibility and detailed balance is also examined at length. Recent applications to photoexcited conjugated polymers are discussed briefly.
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Citations
Cites
Molecular dynamics with electronic transitions
Tully, J. C. (1990) · The Journal of Chemical Physics · doi:10.1063/1.459170 · Cited by 4,000
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Self-citationTrajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2
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Proton transfer in solution: Molecular dynamics with quantum transitions
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Cited by
Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
Crespo-Otero, R., & Barbatti, M. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00577 · Cited by 733
Ab Initio Nonadiabatic Quantum Molecular Dynamics
Curchod, B. F. E., & Martínez, T. J. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00423 · Cited by 709
Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics
Mandal, A., Taylor, M. A. D., Weight, B. M., Koessler, E. R., Li, X., & Huo, P. (2023) · Chemical Reviews · doi:10.1021/acs.chemrev.2c00855 · Cited by 270
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
Prospects of quantum computing for molecular sciences
Liu, H., Low, G. H., Steiger, D. S., Häner, T., Reiher, M., & Troyer, M. (2022) · Materials Theory · doi:10.1186/s41313-021-00039-z · Cited by 73
Metadata
- Authors
- Subotnik, J. E., Jain, A., Landry, B., Petit, A., Ouyang, W., & Bellonzi, N.
- Venue
- Annual Review of Physical Chemistry
- Publisher
- Annual Reviews
- Published
- 2016-05-27
- Volume
- 67
- Issue
- 1
- Pages
- 387-417
- ISSN
- 0066-426X (ISSN-L)
- 1545-1593
- OpenAlex
- W2127590169
- Cited by
- 438
- References
- 124
- FWCI
- 1.45
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Subotnik, J. E., Jain, A., Landry, B., Petit, A., Ouyang, W., & Bellonzi, N. (2016). Understanding the Surface Hopping View of Electronic Transitions and Decoherence. Annual Review of Physical Chemistry. https://doi.org/10.1146/annurev-physchem-040215-112245
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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