English

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

Chemical Physics 2009-11-11 v1

Abstract

Based on a simplest molecular orbital theory of H2+_{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., H2_{2}, Li2_{2}, LiH, Cd2_{2}, Na2+_{2}^{+}, and RbH^{-}), long-range bound diatomics (e.g., NaAr, CdNe, He2_{2}, CaHe, SrHe, and BaHe), metastable molecular dications (e.g., BeH++^{++}, AlH++^{++}, Mg2++_{2}^{++}, and LiBa++^{++}), and molecular trications (e.g., YHe+++^{+++} and ScHe+++^{+++}).

Keywords

Cite

@article{arxiv.physics/0511155,
  title  = {A Simple Three-Parameter Model Potential For Diatomic Systems: From Weakly and Strongly Bound Molecules to Metastable Molecular Ions},
  author = {Rui-Hua Xie and Jiangbin Gong},
  journal= {arXiv preprint arXiv:physics/0511155},
  year   = {2009}
}

Comments

5 pages, 4 figures, accepted by Physical Review Letters

R2 v1 2026-07-22T19:07:17.872Z