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.
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机译：Quasiclassical trajectory calculations compared to quantum mechanical reaction probabilities, rate constants, and activation energies for two different potential surfaces for the collinear reaction H2+Irarr;H+HI, including dependence on initial vibrational state
