Numerical Calculation of Three-Dimensional Ground State Potential Energy Function of Na2F System

We present a new three-dimensional global potential energy surface (PES) for the ground state of Na2F system. A total of about 1460 points were generated for the PES. All of the points have been carried out by using the coupled-cluster single-, double-, and perturbative triple-excitations [CCSD(T)]....

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Bibliographic Details
Main Authors: Yue Wang, Yu Liu, BiLv Fang, Gan Gao, Chengwen Zhang, Dezhi Dong
Format: Article
Language:English
Published: Wiley 2022-01-01
Series:Advances in Mathematical Physics
Online Access:http://dx.doi.org/10.1155/2022/4330503
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