Close-coupling calculations on the H+BrH→HBr+H reaction in three dimensions

Close-coupling calculations on the H+BrH(v=0, j)→HBr(v=0, j′)+H reaction in three dimensions are reported. Cross sections have been computed for an energy range sufficient to give a converged rate constant at room temperature. The results are used to test the accuracy of sudden approximations and a variational transition state theory with tunneling correction. It is found that these approximate theories slightly overestimate the reaction rate constant.