Exact quantum calculations on the collinear hydrogen atom transfer reaction I. Study on oscillations of the reaction probabilities of Cl + HCl

1‐D quantum calculations of reaction probabilities have been carried out for the collinear reaction Cl + HCl (v≤3)→ClH (v′≤3) + Cl using hyperspherical coordinates. An LEPS potential energy surface with a shallow well depth of −3.22 KJ/mol has been used in the calculations. The state‐to‐state reaction probabilities have been calculated. According to the results obtained we found that the diagonal (v=v′) reaction probabilities dominate over the off‐diagonal (v≠v′) reaction probabilities and the largest off‐diagonal reaction probabilities are smaller than 0.1. The reaction probabilities show oscillation as a function of energy. Dynamic resonances strengthen for the potential energy surface with a well.