According to a novel electronic ground-state potential energy surface of H2O^＋（X^4 A″）,we calculate the reaction probabilities and the integral cross section for the titled reaction O^＋＋ D2→OD^＋＋ D by the Che...According to a novel electronic ground-state potential energy surface of H2O^＋（X^4 A″）,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 e V–1.0 e V show an oscillatory structure for the O^＋＋ D2 reaction due to the existence of the potential well.Compared with the results of Martinez et al.,the present integral cross section is large,which is in line with experimental data.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11674198 and 11304185)
文摘According to a novel electronic ground-state potential energy surface of H2O^＋（X^4 A″）,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 e V–1.0 e V show an oscillatory structure for the O^＋＋ D2 reaction due to the existence of the potential well.Compared with the results of Martinez et al.,the present integral cross section is large,which is in line with experimental data.
