On the pseudoharmonic oscillator as a model for the electronic potential-energy function of a diatomic molecule

On the pseudoharmonic oscillator as a model for the electronic potential-energy function of a diatomic molecule

We show that the vibration-rotational energies of some diatomic molecules obtained some time ago are incorrect. The authors resorted to the experimental dissociation energy to construct the electronic potential-energy function by means of the pseudoharmonic potential that does not allow dissociation...

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Veröffentlicht in:Journal of mathematical chemistry 2024-02, Vol.62 (2), p.313-316
1. Verfasser: Fernández, Francisco M.
Format: Artikel
Sprache:eng
Schlagworte:
Angular momentum
Chemistry
Chemistry and Materials Science
Diatomic molecules
Energy of dissociation
Free energy
Heat of formation
Math. Applications in Chemistry
Original Paper
Physical Chemistry
Theoretical and Computational Chemistry
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creator Fernández, Francisco M.
description We show that the vibration-rotational energies of some diatomic molecules obtained some time ago are incorrect. The authors resorted to the experimental dissociation energy to construct the electronic potential-energy function by means of the pseudoharmonic potential that does not allow dissociation. Besides, the restriction of the angular momentum quantum number exhibited by their results is incorrect from mathematical and physical points of views.
doi_str_mv 10.1007/s10910-023-01530-3
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subjects Angular momentum
Chemistry
Chemistry and Materials Science
Diatomic molecules
Energy of dissociation
Free energy
Heat of formation
Math. Applications in Chemistry
Original Paper
Physical Chemistry
Theoretical and Computational Chemistry
title On the pseudoharmonic oscillator as a model for the electronic potential-energy function of a diatomic molecule
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