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 H, 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, Li, LiH, Cd, Na, and RbH), long-range bound diatomics (e.g., NaAr, CdNe, He, CaHe, SrHe, and BaHe), metastable molecular dications (e.g., BeH, AlH, Mg, and LiBa), and molecular trications (e.g., YHe and ScHe).
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