Novel potential energy surface-based quantum dynamics of ion–molecule reaction O^++ D_2→OD^++ D  

作　　者：Xian-Long Wang Feng Gao Shou-Bao Gao Lu-Lu Zhang Yu-Zhi Song Qing-Tian Meng 王宪龙;高峰;高守宝;张路路;宋玉志;孟庆田(School of Physics and Electronics,Shandong Normal University)

机构地区：School of Physics and Electronics, Shandong Normal University, Jinan 250358, China

出　　处：《Chinese Physics B》2018年第4期276-280,共5页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant Nos.11674198 and 11304185)

摘　　要：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.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.

关 键 词：quantum dynamics Chebyshev wave packet propagation O^＋ ＋ D2 

分 类 号：O643.12[理学—物理化学]