A Spectroscopic Validation of the Improved Lennard–Jones Model

A Spectroscopic Validation of the Improved Lennard–Jones Model

The Lennard–Jones (LJ) and Improved Lennard–Jones (ILJ) potential models have been deeply tested on the most accurate CCSD(T)/CBS electronic energies calculated for some weakly bound prototype systems. These results are important to plan the correct application of such models to systems at increasin...

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Bibliographic Details
Main Authors: Rhuiago Mendes de Oliveira, Luiz Guilherme Machado de Macedo, Thiago Ferreira da Cunha, Fernando Pirani, Ricardo Gargano
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Molecules
Subjects:
noble gas molecules
rovibrational energies
lifetime
spectroscopic constants
improved Lennard Jones model
Online Access:https://www.mdpi.com/1420-3049/26/13/3906

Internet

https://www.mdpi.com/1420-3049/26/13/3906

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