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

摘要

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~(+ + +)).