Simple three-parameter model potential for diatomic systems: from weakly and strongly bound molecules to metastable molecular ions.
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(+++)).
Xie
Rui-Hua
RH
Institute for Quantum Studies and Department of Physics, Texas A&M University, College Station, 77843, USA.
Gong
Jiangbin
J