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- Title
Relationship between Lennard-Jones potential and physico-chemical parameters.
- Authors
Ben Torkia, Yosra; Ben Lamine, Abdelmottaleb
- Abstract
We developed in this paper the used methodology to describe the Lennard-Jones potential of two atoms in rare gas. In this treatment we supposed that one atom could be described by a harmonic oscillator. The interaction potential is developed at short and long ranges. The results showed that the obtained physico-chemical parameters such as the oscillator frequency, the atom mass, and the atom charge well reproduce the Lennard-Jones potential. Then the potential well depth and the effective equilibrium diameter are expressed in function of the oscillator frequency, the atom mass and charge.
- Subjects
HARMONIC oscillators; NOBLE gases; POTENTIAL well
- Publication
Journal of Mathematical Chemistry, 2024, Vol 62, Issue 6, p1424
- ISSN
0259-9791
- Publication type
Article
- DOI
10.1007/s10910-024-01598-5