摘要
We report the cumulative reaction probabilities(CRP)of the three-dimensional Cl+H_(2)→H+HCl calculated on the Stern-Persky-Klein potential energy surface,using the generalized Newton variational principle,for total angular momentum J=0,over a total reaction energy range from 9 to 19 kcal/mol.The relation between CRP and reaction rate constants,as well as the calculation for complete reaction rates(summed over all J),bypassing the direct calculation of the CRP's for J>0,are also discussed.
