New diabatic potential energy surfaces of KH <sub>2</sub> system constructed using neural network method-Reference-Cited by-同舟云学术

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New diabatic potential energy surfaces of KH ₂ system constructed using neural network method

Published:2023-11-30 Issue: Volume: Page:
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Zhao Xumin¹²^ORCID,Xie Guojie¹,Li Wentao³,Zhao Yanxia²,Yang Chengji⁴^ORCID

Affiliation:

1. Key Laboratory of Open Data of Zhejiang Province, Hangzhou, People’s Republic of China

2. Zhejiang Yuexiu University, Shaoxing, People’s Republic of China

3. Weifang University of Science and Technology, Shouguang, People’s Republic of China

4. Northeastern University, Boston, MA, USA

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2023.2287685

Reference43 articles.

1. Molecular potential energy surfaces by interpolation

2. Polyatomic molecular potential energy surfaces by interpolation in local internal coordinates

3. Molecular potential-energy surfaces for chemical reaction dynamics

4. Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approach

5. Permutation invariant polynomial neural network approach to fitting potential energy surfaces

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1. An overview about neural networks potentials in molecular dynamics simulation;International Journal of Quantum Chemistry;2024-05-21

2. Non-adiabatic dynamics studies for the K(4p2P) + HD reaction;Chemical Physics Letters;2024-01

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