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Relationship between Lennard-Jones potential and physico-chemical parameters

  • Yosra Ben Torkia,
  • Abdelmottaleb Ben Lamine

摘要

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.

Graphical abstract