Issue 34, 2024

An improved method for reactive scatterings in ultra-cold conditions using the time-dependent approach

Abstract

A new efficient method for considering the long-range effect of reactive scattering processes in ultra-cold conditions has been developed using the time-dependent quantum wave packet theory, where the initial wave packet could be placed at a position near the interaction region. This is in contrast to previous methods, where the initial wave packet has to be placed far from the interaction region. The new method reduces the numerical effort significantly. Typical reactions, such as S(1D) + H2, D+ + H2, and 7Li + 7Li2 (v0 = 1, j0 = 0), under cold or ultra-cold conditions, are used to demonstrate the numerical efficiency of the new method.

Graphical abstract: An improved method for reactive scatterings in ultra-cold conditions using the time-dependent approach

Article information

Article type
Paper
Submitted
08 Jun 2024
Accepted
30 Jul 2024
First published
31 Jul 2024
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2024,26, 22790-22797

An improved method for reactive scatterings in ultra-cold conditions using the time-dependent approach

H. Zhao and Z. Sun, Phys. Chem. Chem. Phys., 2024, 26, 22790 DOI: 10.1039/D4CP02340D

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements