Quantum mechanical study of the correlation of attack and recoil angles for the Cl + H2 reaction using the stereodirected and discrete variable representations on two potential energy surfaces

The zero total angular momentum (J = 0) S matrix elements, calculated using a time-dependent wave packet method for the Cl (2P) + H2 reaction on two different potential energy surfaces, have been matrix transformed to the stereodirected and Gauss-Legendre discrete variable representations. Although the results in the two representations are (as expected) quantitatively different with respect to the angular selectivity and-specificity of the reactive process, the qualitative similarity has allowed us to draw for the first time conclusions with respect to some characteristics of the potential energy surface.