State-to-state investigations of vibrational excitation effects for D+ + HD reaction
Creators
- 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.2020.138133Additional 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.