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describing nonadiabatic dynamics based on trajectories, severe trajectory
branching occurs when the nuclear wave packets on some potential energy surfaces
are reflected while those on the remaining surfaces are not. As a result, the
traditional Ehrenfest mean field (EMF) approximation breaks down. In this study,
two versions of the branching corrected mean field (BCMF) method are proposed. Namely,
when trajectory branching is identified, BCMF stochastically selects either the
reflected or the non-reflected group to build the new mean field trajectory or splits
the mean field trajectory into two new trajectories with the corresponding
weights. As benchmarked in six standard model systems and an extensive model
base with two hundred diverse scattering models, BCMF significantly improves
the accuracy while retaining the high efficiency of the traditional EMF. In
fact, BCMF closely reproduces the exact quantum dynamics in all investigated
systems, thus highlighting the essential role of branching correction in nonadiabatic
dynamics simulations of general systems.