A new approach to angular momentum constraints in bimolecular reactions

The well-known analysis of angular momentum constraints for diatomic systems in terms of a bond potential containing a J-dependent centrifugal part is here extended to larger systems. The new procedure is based on the identification of the minimal kinetic energy associated with a given spatial configuration and J value. Alternatively, for a given total energy E and spatial configuration the maximum J value can be identified. Constant J_max curves have been obtained by a Monte Carlo sampling scheme for a model of the KNaCl system at several different total internal energies. Particular attention is given to the estimation of J-dependent reaction thresholds.