Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-Atom Reactions

Jiayu Huang; Jun Chen; Shu Liu; Dong H Zhang

doi:10.1021/acs.jpclett.0c02606

Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-Atom Reactions

J Phys Chem Lett. 2020 Oct 15;11(20):8560-8564. doi: 10.1021/acs.jpclett.0c02606. Epub 2020 Sep 24.

Authors

Jiayu Huang^{1

2}, Jun Chen³, Shu Liu¹, Dong H Zhang¹

Affiliations

¹ State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
² University of Chinese Academy of Sciences, Beijing 100049, China.
³ State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China.

PMID: 32972141
DOI: 10.1021/acs.jpclett.0c02606

Abstract

We report here the first time-dependent wave packet dynamics study for an ultracold four-atom reaction. Our calculations provide accurate integral cross sections and rate constants all the way down to the Bethe-Wigner threshold regime for the benchmark OH + H₂(v = 2, j = 0) → H₂O + H reaction, indicating that the time-dependent wave packet method is a powerful tool for studying ultracold four-atom reactions.