Quasiclassical trajectory calculation of the state‐specified differential cross sections and opacity functions for F+H₂ → HF(v′)+H

We report well‐converged quasiclassical trajectory calculations of the state‐specified differential cross sections dσ/dΩ(v′) and opacity functions P(b, v′) for F+H₂ → FH(v′)+H, where the final vibrational quantum numbers v′ are assigned by the histogram method and P(b, v′) is the probability of reaction into a specified v′ level at initial impact parameter b. The differential cross sections are calculated by the Legendre moment method using stratified sampling. At a relative translational energy of 0.233 eV, all dσ/dΩ(v′) are backwards peaked, and P(b,v′ = 2) and P(b,v′ = 3) both peak at b = 0. This provides confirmatory evidence that the sideways scattering and high‐b maximum in P(b, v′) that have been observed in previous calculations by Redmon and Wyatt and by Jellinek, Baer, and Kouri are indeed quantal effects.