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

被引：10
|
作者：
Wang, Xian-Long [1 ]
Gao, Feng [1 ]
Gao, Shou-Bao [1 ]
Zhang, Lu-Lu [1 ]
Song, Yu-Zhi [1 ]
Meng, Qing-Tian [1 ]
机构：
[1] Shandong Normal Univ, Sch Phys & Elect, Jinan 250358, Shandong, Peoples R China
来源：
CHINESE PHYSICS B | 2018年 / 27卷 / 04期
基金：
中国国家自然科学基金;
关键词：
quantum dynamics; Chebyshev wave packet propagation; O+ + D-2; REAL WAVE-PACKETS; CROSS-SECTIONS; ORDER DOMAIN; SCATTERING; PROBABILITIES; DEPENDENCE; SYSTEM;
D O I：
10.1088/1674-1056/27/4/043104
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
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+ + D-2 -> 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+ + D-2 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.
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页数：5
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