2012Physical Review ARequires access

Modified Rosen-Morse potential-energy model for diatomic molecules

Guangdong Zhang, Jianyi Liu, Liehui Zhang, Wen Zhou, Chun‐Sheng Jia

Open publisher page 76 citations

Abstract

By employing the dissociation energy and the equilibrium bond length for a diatomic molecule as explicit parameters, we generate an improved expression for the generalized Woods-Saxon potential. It is exactly shown that the generalized Woods-Saxon potential and the well-known Rosen-Morse potential are the same empirical potential-energy function for diatomic molecules. Based on the measure of inner-shell radii of two atoms, we propose a modified Rosen-Morse potential-energy model. Evaluation of the average deviations from the experimental data is carried out on six molecules. The modified Rosen-Morse potential is found to be more accurate than the Morse and Rosen-Morse potentials in fitting experimental data for the six molecules examined.

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What this paper is about

By employing the dissociation energy and the equilibrium bond length for a diatomic molecule as explicit parameters, we generate an improved expression for the generalized Woods-Saxon potential. It is exactly shown that the generalized Woods-Saxon potential and the well-known Rosen-Morse potential are the same empirical potential-energy function for diatomic molecules. Based on the measure of inner-shell radii of two atoms, we propose a modified Rosen-Morse potential-energy model. Evaluation of the average deviations from the experimental data is carried out on six molecules. The modified Rosen-Morse potential is found to be more accurate than the Morse and Rosen-Morse potentials in fitting experimental data for the six molecules examined.

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Available abstract

By employing the dissociation energy and the equilibrium bond length for a diatomic molecule as explicit parameters, we generate an improved expression for the generalized Woods-Saxon potential. It is exactly shown that the generalized Woods-Saxon potential and the well-known Rosen-Morse potential are the same empirical potential-energy function for diatomic molecules. Based on the measure of inner-shell radii of two atoms, we propose a modified Rosen-Morse potential-energy model. Evaluation of the average deviations from the experimental data is carried out on six molecules. The modified Rosen-Morse potential is found to be more accurate than the Morse and Rosen-Morse potentials in fitting experimental data for the six molecules examined.

Key concepts: Diatomic molecule, Morse potential, Physics, Potential energy, Morse code, Bond-dissociation energy, Molecule, Morse theory

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