David, David, and Alessio’s direct fewest switches surface hopping development paper was accepted to JCTC. Along with details of an efficient implementation of this popular non-adiabatic molecular dynamics approach for low-scaling, single reference excited state methods, a technique in the spirit of “meta-dynamics” that utilizes time-dependent perturbation theory and biased surface hopping trajectories to study slow non-radiative processes directly in the time domain (coined “meta surface hopping”) is introduced and validated on a simple toy problem, and then applied to a realistic molecular system that undergoes slow non-radiative relaxation.
