Atom–diatom reactive scattering. II. H+H2 and its isotopomers, J=0

Abstract

The solution of the reactive scattering problem by R‐matrix propagation requires a number of choices which may affect the numerical accuracy. Although the formal definitions and development were given in detail in the preceding paper, in this paper we give (a) the specific choices and numerical procedures followed in our calculation, (b) a discussion and evaluation of the stability of the calculation with respect to these choices, and (c) results for three dimensional J=0 reactive scattering of H₃, H₂D, and HD₂ systems in the energy range from threshold to about 1.30 to 1.50 eV.