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Studies of the Potential-Curve-Crossing Problem. II. General Theory and a Model for Close Crossings
Abstract
A unified formal treatment of the two-state potential-curve-crossing problem in atomic collision theory is presented, and the case of close crossings analyzed in detail. A complete solution for this case, including necessary computations, is given using a suitable generalization of the linear model originally suggested by Landau, Zener, and Stueckelberg. Our solution is based upon a hierarchy of approximations concerned with (i) choice of a discrete basis set for electronic coordinates, (ii) semiclassical treatment of the nuclear motion, (iii) an appropriate model for the two-state electronic Hamiltonian, and (iv) a complete solution to that model.
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Citations
Cites
Non-adiabatic crossing of energy levels
Zener, C. (1932) · Proceedings of the Royal Society of London Series A Containing Papers of a Mathematical and Physical Character · doi:10.1098/rspa.1932.0165 · Cited by 4,572
Cited by
Landau–Zener–Stückelberg interferometry
Shevchenko, S. N., Ashhab, S., & Nori, F. (2010) · Physics Reports · doi:10.1016/j.physrep.2010.03.002 · Cited by 821
Conditions for the definition of a strictly diabatic electronic basis for molecular systems
Mead, C. A., & Truhlar, D. G. (1982) · The Journal of Chemical Physics · doi:10.1063/1.443853 · Cited by 744
MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions
Glowacki, D. R., Liang, C.-H., Morley, C., Pilling, M. J., & Robertson, S. H. (2012) · The Journal of Physical Chemistry A · doi:10.1021/jp3051033 · Cited by 629
Wave-packet dynamics: new physics and chemistry in femto-time
Garraway, B. M., & Suominen, K. A. (1995) · Reports on Progress in Physics · doi:10.1088/0034-4885/58/4/001 · Cited by 318
Surface-hopping modeling of photoinduced relaxation dynamics on coupled potential-energy surfaces
Müller, U., & Stock, G. (1997) · The Journal of Chemical Physics · doi:10.1063/1.474288 · Cited by 296
Metadata
- Authors
- Delos, J. B., & Thorson, W. R.
- Venue
- Physical Review A
- Publisher
- American Physical Society (APS)
- Published
- 1972-08-01
- Volume
- 6
- Issue
- 2
- Pages
- 728-745
- ISSN
- 0556-2791 (ISSN-L)
- OpenAlex
- W2085088834
- Cited by
- 198
- References
- 1
- FWCI
- 7.24
- Type
- journal article
- Language
- en
- Open access
- closed
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- Delos, J. B., & Thorson, W. R. (1972). Studies of the Potential-Curve-Crossing Problem. II. General Theory and a Model for Close Crossings. Physical Review A. https://doi.org/10.1103/physreva.6.728
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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.
