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。Overcoming positivity violations for density matrices in surface hopping
Anna S. Bondarenko et al.
JOURNAL OF CHEMICAL PHYSICS (2023)
Coherence and Efficient Energy Transfer in Molecular Wires: Insights from Surface Hopping Simulations
Aarti Sindhu et al.
CHEMPHYSCHEM (2022)
Pedagogical Overview of the Fewest Switches Surface Hopping Method
Amber Jain et al.
ACS OMEGA (2022)
Benchmarking the Surface Hopping Method to Include Nuclear Quantum Effects
Aarti Sindhu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Branching and phase corrected surface hopping: A benchmark of nonadiabatic dynamics in multilevel systems
Cancan Shao et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Branching corrected surface hopping: Resetting wavefunction coefficients based on judgement of wave packet reflection
Jiabo Xu et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Generalization of fewest-switches surface hopping for coherences
Roel Tempelaar et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Understanding the Surface Hopping View of Electronic Transitions and Decoherence
Joseph E. Subotnik et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67 (2016)
An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations
Amber Jain et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Recent Progress in Surface Hopping: 2011-2015
Linjun Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance
Amber Jain et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Does Nonadiabatic Transition State Theory Make Sense Without Decoherence?
Amber Jain et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Communication: The correct interpretation of surface hopping trajectories: How to calculate electronic properties
Brian R. Landry et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence
Tammie Nelson 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)
Decoherence-induced surface hopping
Heather M. Jaeger et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective: Nonadiabatic dynamics theory
John C. Tully
JOURNAL OF CHEMICAL PHYSICS (2012)
A new approach to decoherence and momentum rescaling in the surface hopping algorithm
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction
Neil Shenvi 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)
Unified treatment of quantum coherent and incoherent hopping dynamics in electronic energy transfer: Reduced hierarchy equation approach
Akihito Ishizaki et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Theoretical examination of quantum coherence in a photosynthetic system at physiological temperature
Akihito Ishizaki et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Exact dynamics of dissipative electronic systems and quantum transport: Hierarchical equations of motion approach
Jinshuang Jin et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Critical appraisal of the fewest switches algorithm for surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
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)
Electronic decoherence time for non-Born-Oppenheimer trajectories
AW Jasper et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-Born-Oppenheimer trajectories
CY Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Electronically nonadiabatic trajectories: Continuous surface switching II
MD Hack et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics
YL Volobuev et al.
JOURNAL OF CHEMICAL PHYSICS (2000)