Related references
Note: Only part of the references are listed.Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics
Aaron Kelly 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)
Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules
Vyacheslav N. Gorshkov et al.
NATURE COMMUNICATIONS (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)
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)
Decoherence and surface hopping: When can averaging over initial conditions help capture the effects of wave packet separation?
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
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)
Fewest-Switches Surface Hopping and Decoherence in Multiple Dimensions
Joseph E. Subotnik
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Quantum-classical description of environmental effects on electronic dynamics at conical intersections
Aaron Kelly et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Augmented Ehrenfest dynamics yields a rate for surface hopping
Joseph E. Subotnik
JOURNAL OF CHEMICAL PHYSICS (2010)
Including quantum decoherence in surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods
William H. Miller
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Surface-hopping dynamics and decoherence with quantum equilibrium structure
Robbie Grunwald et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
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)
Robust nonadiabatic molecular dynamics for metals and insulators
L. Stella et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Dynamical simulation of inelastic quantum transport
Eunan J. McEniry et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2007)
Critical appraisal of the fewest switches algorithm for surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Decoherence and quantum-classical master equation dynamics
Robbie Grunwald et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: A comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron
Ross E. Larsen et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Quantized hamilton dynamics
Oleg V. Prezhdo
THEORETICAL CHEMISTRY ACCOUNTS (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)
Electronic decoherence time for non-Born-Oppenheimer trajectories
AW Jasper et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Correlated electron-ion dynamics:: the excitation of atomic motion by energetic electrons
AP Horsfield et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2005)
Quantum-classical Liouville dynamics of nonadiabatic proton transfer
G Hanna et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Mixed quantum-classical equilibrium
PV Parandekar et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Non-Born-Oppenheimer trajectories with self-consistent decay of mixing
CY Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution
L Turi et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Beyond Ehrenfest:: correlated non-adiabatic molecular dynamics
AP Horsfield et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2004)
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)
Quantum-classical Liouville approach to molecular dynamics:: Surface hopping Gaussian phase-space packets
I Horenko et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Dissipative dynamics in many-atom systems: A density matrix treatment
DA Micha et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2002)
Dissipative mixed quantum-classical simulation of the aqueous solvated electron system
KF Wong et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Solvent-induced electronic decoherence: Configuration dependent dissipative evolution for solvated electron systems
KF Wong et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Statistical mechanics of quantum-classical systems
S Nielsen et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations
AW Jasper et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
A natural decay of mixing algorithm for non-Born-Oppenheimer trajectories
MD Hack et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Electronically nonadiabatic trajectories: Continuous surface switching II
MD Hack et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Quantized Hamilton dynamics
OV Prezhdo et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics
YL Volobuev et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Mixed quantum-classical surface hopping dynamics
S Nielsen et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
A multiple spawning approach to tunneling dynamics
M Ben-Nun et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Share Paper
