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Quantum-classical crossover of the transition rate in the damped double well
Open accessAbstract
The author studies the barrier-crossing rate Gamma for a particle in a symmetric double well coupled to a sluggish bath; the aim is to justify the quantum simulation procedure used in related work on the diffusion of hydrogen in metals. He uses path-integral methods to discuss the transition between the low-temperature tunnelling and the high-temperature barrier-jumping regimes, and suggests a unifying formula valid for both, which relates Gamma to the probability of finding the centroid of the quantum path at the barrier top. Numerical results for Gamma are presented for the case of the quartic double well.
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Citations
Cites
Fate of the false vacuum. II. First quantum corrections
Callan, C. G., & Coleman, S. (1977) · Physical Review D · doi:10.1103/physrevd.16.1762 · Cited by 1,789
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Reversible work transition state theory: application to dissociative adsorption of hydrogen
Mills, G., Jónsson, H., & Schenter, G. K. (1995) · Surface Science · doi:10.1016/0039-6028(94)00731-4 · Cited by 2,359
Current Status of Transition-State Theory
Truhlar, D. G., Garrett, B. C., & Klippenstein, S. J. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp953748q · Cited by 2,279
Electrostatic Basis for Enzyme Catalysis
Warshel, A., Sharma, P. K., Kato, M., Xiang, Y., Liu, H., & Olsson, M. H. M. (2006) · Chemical Reviews · doi:10.1021/cr0503106 · Cited by 1,444
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
Ceriotti, M., Fang, W., Kusalik, P. G., McKenzie, R. H., Michaelides, A., Morales, M. A., & Markland, T. E. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00674 · Cited by 697
Metadata
- Authors
- Gillan, M. J.
- Venue
- Journal of Physics C: Solid State Physics
- Publisher
- IOP Publishing
- Published
- 1987-08-30
- Volume
- 20
- Issue
- 24
- Pages
- 3621-3641
- ISSN
- 0022-3719 (ISSN-L)
- OpenAlex
- W1981694796
- Cited by
- 402
- References
- 1
- FWCI
- 3.33
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Gillan, M. J. (1987). Quantum-classical crossover of the transition rate in the damped double well. Journal of Physics C: Solid State Physics. https://doi.org/10.1088/0022-3719/20/24/005
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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.
