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...
Main Authors: | Zijiang Yang, Hanghang Chen, Bayaer Buren, Maodu Chen |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2023-03-01
|
Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/28/7/2938 |
Similar Items
-
A Globally Accurate Neural Network Potential Energy Surface and Quantum Dynamics Studies on Be<sup>+</sup>(<sup>2</sup>S) + H<sub>2</sub>/D<sub>2</sub> → BeH<sup>+</sup>/BeD<sup>+</sup> + H/D Reactions
by: Zijiang Yang, et al.
Published: (2024-07-01) -
Ab Initio Neural Network Potential Energy Surface and Quantum Dynamics Calculations on Na(<sup>2</sup>S) + H<sub>2</sub> → NaH + H Reaction
by: Siwen Liu, et al.
Published: (2024-10-01) -
Ab Initio Investigation of the Hydration of the Tetrahedral d<sup>0</sup> Transition Metal Oxoanions NbO<sub>4</sub><sup>3−</sup>, TaO<sub>4</sub><sup>3−</sup>, CrO<sub>4</sub><sup>2−</sup>, MoO<sub>4</sub><sup>2−</sup>, WO<sub>4</sub><sup>2−</sup>, MnO<sub>4</sub><sup>−</sup>, TcO<sub>4</sub><sup>−</sup>, ReO<sub>4</sub><sup>−</sup>, and of FeO<sub>4</sub>, RuO<sub>4</sub>, and OsO<sub>4</sub>
by: Barbara L. Goodall, et al.
Published: (2024-08-01) -
A globally accurate potential energy surface and quantum dynamics calculations on the Be(1S) + H2(v0 = 0, j0 = 0) → BeH + H reaction
by: Zijiang Yang, et al.
Published: (2022-09-01) -
The <sup>1</sup>S<sub>0</sub> Pairing Gap in Neutron Matter
by: Stefano Gandolfi, et al.
Published: (2022-02-01)