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 Dec. 2022
First published
13 Dec. 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

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