Reaction mechanism of D+ND→N+D2 and its state-to-state quantum dynamics

doi:10.1088/1674-1056/28/2/023102

Abstract

The quantum state-to-state calculations of the D+ND→N+D₂ reaction are performed on a potential energy surface of ⁴A" state. The state-resolved integral and differential cross sections and product state distributions are calculated and discussed. It is found that the rotational distribution, rather than the vibrational distribution, of the product has an obvious inversion. Due to the fact that it is a small-impact-parameter collision, its product D₂ is mainly dominated by rebound mechanism, which can lead to backward scattering at low collision energy. As the collision energy increases, the forward scattering and sideward scattering begin to appear. In addition, the backward collision is also found to happen at high collision energy, through which we can know that both the rebound mechanism and stripping mechanism exist at high collision energy.

Keywords: state-to-state quantum dynamics time-dependent wave packet D+ND differential cross section

Received: 19 October 2018
Revised: 03 December 2018
Accepted manuscript online:

PACS:	31.15.xv	(Molecular dynamics and other numerical methods)
	34.50.-s	(Scattering of atoms and molecules)
	03.67.Lx	(Quantum computation architectures and implementations)

Fund:

Project supported by the National Natural Science Foundation of China (Grant Nos. 11674198 and 11504206), the Natural Science Foundation of Shandong Province, China (Grant No. ZR2016AP14), and the Taishan Scholar Project of Shandong Province, China.

Corresponding Authors: Qing-Tian Meng
E-mail: qtmeng@sdnu.edu.cn

Cite this article:

Ting Xu(许婷), Juan Zhao(赵娟), Xian-Long Wang(王宪龙), Qing-Tian Meng(孟庆田) Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics 2019 Chin. Phys. B 28 023102

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Reaction mechanism of D+ND→N+D2 and its state-to-state quantum dynamics

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Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics