点击次数：

论文类型：期刊论文

发表时间：2015-07-01

发表刊物：CANADIAN JOURNAL OF CHEMISTRY

收录刊物：SCIE、EI、Scopus

卷号：93

期号：7

页面范围：764-768

ISSN号：0008-4042

关键字：non-BO trajectory; stereodynamics; rotational polarization; charge transfer

摘要：A non-Born-Oppenheimer (BO) investigation using coherent switching with decay of mixing method is carried out for both reactive non-charge transfer and charge transfer channels of reaction D+ + H-2 (v, j = 0). For the non-charge transfer channel, it is found that the non-BO effect has a small influence on the differential cross section, but it has a large impact on the rotational polarization of the HD product, which is reflected by the joint distribution P(theta(r), phi(r)). And it is also found that the polarization of the charge transfer products shows a quite different form. The rotational polarizations are also investigated at various collision energies and initial vibrational states for both reactive channels.