Issue 5, 2023

Recent advances in quantum theory on ro-vibrationally inelastic scattering

Abstract

Molecular collisions are of fundamental importance in understanding intermolecular interaction and dynamics. Its importance is accentuated in cold and ultra-cold collisions because of the dominant quantum mechanical nature of the scattering. We review recent advances in the time-independent approach to quantum mechanical characterization of non-reactive scattering in tetratomic systems, which is ideally suited for large collisional de Broglie wavelengths characteristic in cold and ultracold conditions. We discuss quantum scattering algorithms between two diatoms and between a triatom and an atom and their implementation, as well as various approximate schemes. They not only enable the characterization of collision dynamics in realistic systems but also serve as benchmarks for developing more approximate methods.

Graphical abstract: Recent advances in quantum theory on ro-vibrationally inelastic scattering

Article information

Article type
Perspective
Submitted
29 okt. 2022
Accepted
12 des. 2022
First published
13 des. 2022

Phys. Chem. Chem. Phys., 2023,25, 3577-3594

Author version available

Recent advances in quantum theory on ro-vibrationally inelastic scattering

D. Yang, H. Guo and D. Xie, Phys. Chem. Chem. Phys., 2023, 25, 3577 DOI: 10.1039/D2CP05069B

To request permission to reproduce material from this article, 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 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