Quantum Mechanical Rate Coefficients for the Cl + H₂ Reaction

Abstract

We present quantal reaction rate coefficients obtained from well-converged cumulative reaction probabilities calculated by an algebraic variational method for total angular momentum J in the range 0−6 and obtained from the separable-rotation approximation for J ≠ 6. These results are used to test variational transition state theory calculations with optimized multidimensional tunneling contributions and are compared to experiment.