The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
BEYOND BORN-OPPENHEIMER: Molecular Dynamics Through a Conical Intersection
Abstract
▪ Abstract Nonadiabatic effects play an important role in many areas of physics and chemistry. The coupling between electrons and nuclei may, for example, lead to the formation of a conical intersection between potential energy surfaces, which provides an efficient pathway for radiationless decay between electronic states. At such intersections the Born-Oppenheimer approximation breaks down, and unexpected dynamical processes result, which can be observed spectroscopically. We review the basic theory required to understand and describe conical, and related, intersections. A simple model is presented, which can be used to classify the different types of intersections known. An example is also given using wavepacket dynamics simulations to demonstrate the prototypical features of how a molecular system passes through a conical intersection.
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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
Manthe, U., Meyer, H.-D., & Cederbaum, L. S. (1992) · The Journal of Chemical Physics · doi:10.1063/1.463007 · Cited by 998
Self-citation
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
Levine, R. D. (2005) · Cambridge University Press eBooks · doi:10.1017/cbo9780511614125 · Cited by 709
Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO2
Duncan, W. R., & Prezhdo, O. V. (2007) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.58.052306.144054 · Cited by 580
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
Polaritonic Chemistry with Organic Molecules
Feist, J., Galego, J., & Garcia-Vidal, F. J. (2018) · ACS Photonics · doi:10.1021/acsphotonics.7b00680 · Cited by 438
Metadata
- Authors
- Worth, G. A., & Cederbaum, L. S.
- Venue
- Annual Review of Physical Chemistry
- Publisher
- Annual Reviews
- Published
- 2004-06-01
- Volume
- 55
- Issue
- 1
- Pages
- 127-158
- ISSN
- 0066-426X (ISSN-L)
- 1545-1593
- OpenAlex
- W2018998026
- Cited by
- 826
- References
- 2
- FWCI
- 2.11
- Type
- journal article
- Language
- en
- Open access
- closed
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- Worth, G. A., & Cederbaum, L. S. (2004). BEYOND BORN-OPPENHEIMER: Molecular Dynamics Through a Conical Intersection. Annual Review of Physical Chemistry. https://doi.org/10.1146/annurev.physchem.55.091602.094335
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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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