Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
出版年份 2013 全文链接
标题
Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 21, Pages 214107
出版商
AIP Publishing
发表日期
2013-12-05
DOI
10.1063/1.4829856
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics
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- Calculation of Electron Transfer Rates Using Mixed Quantum Classical Approaches: Nonadiabatic Limit and Beyond
- (2013) Weiwei Xie et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules
- (2013) Vyacheslav N. Gorshkov et al. Nature Communications
- How to recover Marcus theory with fewest switches surface hopping: Add just a touch of decoherence
- (2012) Brian R. Landry et al. JOURNAL OF CHEMICAL PHYSICS
- A new approach to decoherence and momentum rescaling in the surface hopping algorithm
- (2011) Joseph E. Subotnik et al. JOURNAL OF CHEMICAL PHYSICS
- Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction
- (2011) Neil Shenvi et al. JOURNAL OF CHEMICAL PHYSICS
- Decoherence and surface hopping: When can averaging over initial conditions help capture the effects of wave packet separation?
- (2011) Joseph E. Subotnik et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Standard surface hopping predicts incorrect scaling for Marcus’ golden-rule rate: The decoherence problem cannot be ignored
- (2011) Brian R. Landry et al. JOURNAL OF CHEMICAL PHYSICS
- Fewest-Switches Surface Hopping and Decoherence in Multiple Dimensions
- (2011) Joseph E. Subotnik JOURNAL OF PHYSICAL CHEMISTRY A
- Quantum-classical description of environmental effects on electronic dynamics at conical intersections
- (2010) Aaron Kelly et al. JOURNAL OF CHEMICAL PHYSICS
- Augmented Ehrenfest dynamics yields a rate for surface hopping
- (2010) Joseph E. Subotnik JOURNAL OF CHEMICAL PHYSICS
- Including quantum decoherence in surface hopping
- (2010) Giovanni Granucci et al. JOURNAL OF CHEMICAL PHYSICS
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- (2009) William H. Miller JOURNAL OF PHYSICAL CHEMISTRY A
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- (2007) Dónal Mac Kernan et al. JOURNAL OF PHYSICAL CHEMISTRY B
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