Globally Accurate Gaussian Process Potential Energy Surface and Quantum Dynamics Studies on the Li(<sup>2</sup>S) + Na<sub>2</sub> → LiNa + Na Reaction at Low Collision Energies

Globally Accurate Gaussian Process Potential Energy Surface and Quantum Dynamics Studies on the Li(<sup>2</sup>S) + Na<sub>2</sub> → LiNa + Na Reaction at Low Collision Energies

The LiNa<sub>2</sub> reactive system has recently received great attention in the experimental study of ultracold chemical reactions, but the corresponding theoretical calculations have not been carried out. Here, we report the first globally accurate ground-state LiNa<sub>2</su...

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Bibliographic Details
Main Authors: Zijiang Yang, Hanghang Chen, Bayaer Buren, Maodu Chen
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Molecules
Subjects:
potential energy surface
Gaussian process
ab initio
reaction dynamics
time-dependent wave packet
Online Access:https://www.mdpi.com/1420-3049/28/7/2938

Internet

https://www.mdpi.com/1420-3049/28/7/2938

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