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。Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)
Brian R. Landrya et al.
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Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance
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Thermal equilibrium properties of surface hopping with an implicit Langevin bath
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Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes
Wenjun Ouyang et al.
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Multidimensional Effects in Nonadiabatic Statistical Theories of Spin-Forbidden Kinetics: A Case Study of 3O + CO → CO2
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Analysis of a surface hopping expansion that includes hops in classically forbidden regions
Michael F. Herman
CHEMICAL PHYSICS (2014)
Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Calculation of Electron Transfer Rates Using Mixed Quantum Classical Approaches: Nonadiabatic Limit and Beyond
Weiwei Xie et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
How to recover Marcus theory with fewest switches surface hopping: Add just a touch of decoherence
Brian R. Landry et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Communication: Standard surface hopping predicts incorrect scaling for Marcus' golden-rule rate: The decoherence problem cannot be ignored
Brian R. Landry et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Nonadiabatic dynamics with trajectory surface hopping method
Mario Barbatti
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Including quantum decoherence in surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Mixed quantum-classical equilibrium: Surface hopping
J. R. Schmidt et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Trotter-based simulation of quantum-classical dynamics
Donal Mac Kernan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath
Soo Young Kim et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Generalized trajectory surface hopping method based on the Zhu-Nakamura theory
P Oloyede et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Mean-field dynamics with stochastic decoherence (MF-SD): A new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence
MJ Bedard-Hearn et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Toward an accurate and efficient semiclassical surface hopping procedure for nonadiabatic problems
MF Herman
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Reaction rate theory: What it was, where is it today, and where is it going?
E Pollak et al.
CHAOS (2005)
The Landau-Zener formula
C Wittig
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Numerical study of the accuracy and efficiency of various approaches for Monte Carlo surface hopping calculations
MF Herman et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations
AW Jasper et al.
CHEMICAL PHYSICS LETTERS (2003)
New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory.: II.: Application to the charge transfer processes in the 3D DH2+ system
CY Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory
CY Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
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