Time-dependent quantum wave packet dynamics of the C + OH reaction on the excited electronic state J. Chem. Phys. 138, 094318 (2013); 10.1063/1.4793395 Dynamics of the O ( P 3 ) + H 2 reaction at low temperatures: Comparison of quasiclassical trajectory with quantum scattering calculations Quantum reactive scattering in three dimensions using adiabatically adjusting principal axis hyperspherical coordinates: Periodic distributed approximating functional method for surface functionsWe present calculations employing the simplest version of the full multiple spawning method, FMS-M or minimal FMS, for electronically nonadiabatic quantum dynamics using three model potential energy matrices with different strengths and ranges for the diabatic coupling. We first demonstrate stability of the branching probabilities and final energy distributions with respect to the parameters in the FMS-M method. We then compare the method to a variety of other semiclassical methods, as well as to accurate quantum mechanical results for three-dimensional atom-diatom reactions and quenching processes; the deviations of the semiclassical results from the accurate quantum mechanical ones are averaged over nine cases. In the adiabatic electronic representation, the FMS-M method provides some improvement over Tully's fewest switches trajectory surface hopping method. However, both methods, irrespective of electronic representation, systematically overpredict the extent of reaction in comparison to the exact quantum mechanical results. The present work provides a baseline for understanding the simplest member of the hierarchy of FMS methods and its relationship to established surface hopping methods.
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