Published January 2021 | Version v1
Journal article

State-to-state investigations of vibrational excitation effects for D+ + HD reaction

  • 1. School of Chemistry & Chemical Engineering, Guangxi University, Nanning 530004, Guangxi, People's Republic of (China)

Description

Highlights: • Reaction of D+ + HD (v = 1, j = 0) has been studied using TDWP theory. • State-to-state resolved ICSs and DCSs have been obtained for the first time. • Vibrational excitation effects are obvious in the results of ICSs and DCSs. • The non-symmetrical profiles of DCSs indicate the complex forming is not that long for v = 1 states. In this paper, quantum wave-packet method was used to study the vibrational excitation effects for title reaction. Results of reaction probabilities, state-to-state resolved integral and differential cross sections for HD (v = 1) state were obtained. Total probabilities decrease with increasing collision energy which presents the excitation effects are not obvious in these results. However, comparing with our previous work for v = 0 state, results from integral and differential cross sections do show visible differences. The non-symmetrical profiles of differential cross sections also suggest that the life-time of complex forming is not that long for v = 1 state.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.cplett.2020.138133

Additional details

Identifiers

DOI
10.1016/j.cplett.2020.138133;
PII
S0009261420310459;

Publishing Information

Journal Title
Chemical Physics Letters
Journal Volume
762
Journal Page Range
vp.
ISSN
0009-2614
CODEN
CHPLBC

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54027196
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
COLLISIONS; COMPUTERIZED SIMULATION; DIFFERENTIAL CROSS SECTIONS; WAVE PACKETS
Descriptors DEC
CROSS SECTIONS; SIMULATION

Optional Information

Copyright
Copyright (c) 2020 Elsevier B.V. All rights reserved.