Time dependent three-dimensional body frame quantal wave packet treatment of the H+H2 exchange reaction on the Liu–Siegbahn–Truhlar–Horowitz (LSTH) surface

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Abstract
Converged vibrational state‐resolved reactive scattering probabilities for the three‐dimensional H+H2 exchange reaction, with total angular momentum J=0 have been obtained using a rotating (body) frame, time dependent quantal wave packet approach. The results are the first obtained by a numerically exact, fully quantal 3D wave packet approach, and yield close agreement with those obtained earlier by Zhang, Kouri, Haug, Schwenke, Shima, and Truhlar.