Simple Three-Parameter Model Potential for Diatomic Systems: From Weakly and Strongly Bound Molecules to Metastable Molecular Ions

Abstract

Based on a simplest molecular-orbital theory of H(2)(+), a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly wide range of internuclear distances. More than 200 weakly and strongly bound diatomics have been studied, including neutral and singly charged diatomics (e.g., H(2), Li(2), LiH, Cd(2), Na(2)(+), and RbH(-)), long-range bound diatomics (e.g., NaAr, CdNe, He(2), CaHe, SrHe, and BaHe), metastable molecular dications (e.g., BeH(++), AlH(++), Mg(2)(++), and LiBa(++)), and molecular trications (e.g., YHe(+++) and ScHe(+++)).