Abstract：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.
(Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)
引用本文:
ZHAI Hong-Sheng, ZHOU Pan-Wang. The Rate Constant Calculations for the Reaction H(2S)+NH(X3Σ-) to N(4S)+H2 by using Quantum Mechanics Method[J]. 中国物理快报, 2012, 29(6): 63401-063401.
ZHAI Hong-Sheng, ZHOU Pan-Wang. The Rate Constant Calculations for the Reaction H(2S)+NH(X3Σ-) to N(4S)+H2 by using Quantum Mechanics Method. Chin. Phys. Lett., 2012, 29(6): 63401-063401.
2012, Vol. 29 
