Generalized newton variational principle–ℒ² amplitude density treatment of the 3‐dimensional quantal reaction F + H₂ → HF(v_f) + H: Comparison of reaction probabilities and state‐to‐state collisional delay times for zero and nonzero total angular momentum

Quantal 3‐D reactive scattering calculations for the F + H₂ → HF (v_f) + H reaction, with nonzero as well as zero total angular momentum, J = 0, 1, and 2, and a realistic potential surface, are reported. The generalized Newton variational principle with an ℒ² expansion of the reactive complex amplitude density is used for the calculations. The results provide an opportunity to study whether the trends in reaction probabilities observed in earlier, converged F + H₂ quantal 3‐D reactive scattering results for zero total angular momentum also hold for J > 0. Reaction probabilities and delay times are reported for J = 0 and 1 for a fine grid of energies over the experimental energy range, and converged reaction probabilities are also reported for J = 2. Reaction probabilities greater than 0.001 are stable to 1%.