Comment on: “Energy spectrum of selected diatomic molecules (H\(_2\), CO, I\(_2\), NO) by the resolution of Schrödinger equation for combined potentials via NUFA method”

Abstract

Quantum mechanics has proved to be suitable for the study of molecular systems. In particular, the Born-Oppenheimer approximation enables one to separate the motions of electrons and nuclei. In the case of diatomic molecules, this approximation leads to the so-called potential-energy function that provides the interaction between the two nuclei. There have recently been great misconceptions about the meaning of certain features of the potential-energy function like the equilibrium bond length and dissociation energy. We discuss the meaning of equilibrium bond length and dissociation energy in the case of a potential-energy curve recently proposed for the treatment of diatomic molecules. It consists of the sum of an inverse quadratic Yukawa potential and two screened Coulomb potentials. Our analysis shows that this potential exhibits obvious inconsistencies and that there is a simple way of rewriting it in a correct way. Our procedure is based on the application of well-known definitions of the molecular parameters just mentioned.