Achieving partial decoherence in surface hopping through phase correction

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

Simultaneous-trajectory surface hopping: A parameter-free algorithm for implementing decoherence in nonadiabatic dynamics

(2011) Neil Shenvi 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

Including quantum decoherence in surface hopping

(2010) Giovanni Granucci et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping

(2009) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface

(2009) N. Shenvi et al.   SCIENCE