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Zhu, Chaoyuan, Jasper, Ahren W., Truhlar, Donald G. (2004) Non-Born–Oppenheimer trajectories with self-consistent decay of mixing. The Journal of Chemical Physics, 120 (12). 5543-5557 doi:10.1063/1.1648306

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Reference TypeJournal (article/letter/editorial)
TitleNon-Born–Oppenheimer trajectories with self-consistent decay of mixing
JournalThe Journal of Chemical Physics
AuthorsZhu, ChaoyuanAuthor
Jasper, Ahren W.Author
Truhlar, Donald G.Author
Year2004 (March 22)Volume120
Issue12
PublisherAIP Publishing
DOIdoi:10.1063/1.1648306Search in ResearchGate
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Mindat Ref. ID2283561Long-form Identifiermindat:1:5:2283561:5
GUID0
Full ReferenceZhu, Chaoyuan, Jasper, Ahren W., Truhlar, Donald G. (2004) Non-Born–Oppenheimer trajectories with self-consistent decay of mixing. The Journal of Chemical Physics, 120 (12). 5543-5557 doi:10.1063/1.1648306
Plain TextZhu, Chaoyuan, Jasper, Ahren W., Truhlar, Donald G. (2004) Non-Born–Oppenheimer trajectories with self-consistent decay of mixing. The Journal of Chemical Physics, 120 (12). 5543-5557 doi:10.1063/1.1648306
In(2004, March) The Journal of Chemical Physics Vol. 120 (12) AIP Publishing

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Zhu, Chaoyuan, Nangia, Shikha, Jasper, Ahren W., Truhlar, Donald G. (2004) Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-Born–Oppenheimer trajectories. The Journal of Chemical Physics, 121 (16). 7658pp. doi:10.1063/1.1793991
Jasper, Ahren W., Truhlar, Donald G. (2005) Electronic decoherence time for non-Born-Oppenheimer trajectories. The Journal of Chemical Physics, 123 (6). 64103pp. doi:10.1063/1.1995695
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Cheng, Shu Chun, Zhu, Chaoyuan, Liang, Kuo Kan, Lin, Sheng Hsien, Truhlar, Donald G. (2008) Algorithmic decoherence time for decay-of-mixing non–Born–Oppenheimer dynamics. The Journal of Chemical Physics, 129 (2). 24112pp. doi:10.1063/1.2948395
Hack, Michael D., Truhlar, Donald G. (2001) A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories. The Journal of Chemical Physics, 114 (21). 9305-9314 doi:10.1063/1.1368388
Jasper, Ahren W., Truhlar, Donald G. (2005) Conical intersections and semiclassical trajectories: Comparison to accurate quantum dynamics and analyses of the trajectories. The Journal of Chemical Physics, 122 (4). 44101pp. doi:10.1063/1.1829031
Jasper, Ahren W., Dawes, Richard (2013) Non-Born–Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X 1Σ+) → CO2(X̃Σg+1). The Journal of Chemical Physics, 139 (15). 154313pp. doi:10.1063/1.4825204
Jasper, Ahren W., Hack, Michael D., Truhlar, Donald G., Piecuch, Piotr (2002) Coupled quasidiabatic potential energy surfaces for LiFH. The Journal of Chemical Physics, 116 (19). 8353pp. doi:10.1063/1.1463440
Nangia, Shikha, Jasper, Ahren W., Miller, Thomas F., Truhlar, Donald G. (2004) Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method. The Journal of Chemical Physics, 120 (8). 3586-3597 doi:10.1063/1.1641019
Jasper, Ahren W., Hack, Michael D., Truhlar, Donald G. (2001) The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations. The Journal of Chemical Physics, 115 (4). 1804-1816 doi:10.1063/1.1377891
Jasper, Ahren W., Stechmann, Samuel N., Truhlar, Donald G. (2002) Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions. The Journal of Chemical Physics, 116 (13). 5424-5431 doi:10.1063/1.1453404
 
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