Novel potential energy surface-based quantum dynamics of ion-molecule reaction O⁺+D₂ →OD⁺+D

According to a novel electronic ground-state potential energy surface of H₂O⁺(X⁴A"), we calculate the reaction probabilities and the integral cross section for the titled reaction O⁺+D₂ →OD⁺+D by the Chebyshev wave packet propagation method. The reaction probabilities in a collision-energy range of 0.0 eV-1.0 eV show an oscillatory structure for the O⁺+D₂ reaction due to the existence of the potential well. Compared with the results of Martínez et al., the present integral cross section is large, which is in line with experimental data.