The Rate Constant Calculations for the Reaction H(²S)+NH(X³Σ^-) to N(⁴S)+H₂ by using Quantum Mechanics Method

The quantum reactive scattering dynamics calculations are carried out over the collision energy range of 0–1.0 eV on the double many-body expansion (DMBE) potential energy surface reported by Poveda and Varandas Phys. Chem. Chem. Phys. 7 (2005) 2867. The reaction probabilities, integral cross-section and rate constants for the title reaction are calculated. The calculated rate constants are in agreement with the available experimental results at high temperature but lower than the experimental results at low temperature.