The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Perspective: Nonadiabatic dynamics theory
Abstract
Nonadiabatic dynamics—nuclear motion evolving on multiple potential energy surfaces—has captivated the interest of chemists for decades. Exciting advances in experimentation and theory have combined to greatly enhance our understanding of the rates and pathways of nonadiabatic chemical transformations. Nevertheless, there is a growing urgency for further development of theories that are practical and yet capable of reliable predictions, driven by fields such as solar energy, interstellar and atmospheric chemistry, photochemistry, vision, single molecule electronics, radiation damage, and many more. This Perspective examines the most significant theoretical and computational obstacles to achieving this goal, and suggests some possible strategies that may prove fruitful.
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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
A variational solution of the time-dependent Schrodinger equation
McLachlan, A. D. (1964) · Molecular Physics · doi:10.1080/00268976400100041 · Cited by 616
Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics
Domcke, W., & Yarkony, D. R. (2012) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-032210-103522 · Cited by 508
Ben-Nun, M., & Martı́nez, T. J. (1998) · The Journal of Chemical Physics · doi:10.1063/1.476142 · Cited by 399
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
Computational electrochemistry: prediction of liquid-phase reduction potentials
Marenich, A. V., Ho, J., Coote, M. L., Cramer, C. J., & Truhlar, D. G. (2014) · Phys. Chem. Chem. Phys. · doi:10.1039/c4cp01572j · Cited by 508
Zheng, Q., Chu, W., Zhao, C., Zhang, L., Guo, H., Wang, Y., Jiang, X., & Zhao, J. (2019) · WIREs Computational Molecular Science · doi:10.1002/wcms.1411 · Cited by 452
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
Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials
Nelson, T., Fernandez-Alberti, S., Roitberg, A. E., & Tretiak, S. (2014) · Accounts of Chemical Research · doi:10.1021/ar400263p · Cited by 258
Metadata
- Authors
- Tully, J. C.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2012-10-15
- Volume
- 137
- Issue
- 22
- Pages
- 22A301-22A301
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2022368043
- Cited by
- 625
- References
- 4
- FWCI
- 16.95
- Type
- journal article
- Language
- en
- Open access
- closed
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