Non-Born-Oppenheimer stereodynamics study for the D+ + H^sub 2^ (v, j = 0) reaction using coherent switching with decay of mixing method

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... (v, j = 0). For the non-charge transfer channel, it is found that the non-BO effect has a small influ...

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Bibliographic Details
Published inCanadian journal of chemistry Vol. 93; no. 7; p. 764
Main Authors Cheng, Dahai, Yuan, Jiuchuang, Chen, Maodu
Format Journal Article
LanguageEnglish
Published Ottawa Canadian Science Publishing NRC Research Press 01.07.2015
Subjects
Chemical reactions
Decay
Electromagnetics
Molecular chemistry
Vibration analysis
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Summary: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... (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(..., ...). 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. (ProQuest: ... denotes formulae/symbols omitted.)
ISSN:0008-4042
1480-3291