A 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${}^{+++}$).

5 pages, 4 figures, accepted by Physical Review Letters

References in corpus (2)

• Mapping the magic numbers in binary Lennard-Jones clusters
• Rydberg-London Potential for Diatomic Molecules and Unbonded Atom Pairs

Cited by in corpus (4)

• Ab initio electronic structure and prospects for the formation of ultracold calcium--alkali-metal-atom molecular ions
• Towards the analytic theory of Potential Energy Curves for diatomic molecules. Studying He${}_2^{+}$ and LiH diatomics as illustration
• Comment on Universal Reduced Potential Function for Diatomic Systems
• Highly accurate potential energy curves for the hydrogen molecule ion