一个简单的双原子三参数模型势：从弱、强束缚分子到亚稳分子离子
A Simple Three-Parameter Model Potential For Diatomic Systems: From Weakly and Strongly Bound Molecules to Metastable Molecular Ions
摘要：
基于最简单的H $_{2}^{+}$分子轨道理论，提出了一个三参数模型势函数，用于描述具有闭合壳层和/或S型价层组分的基态双原子系统，其核间距范围很宽.已经研究了超过200种弱和强结合的双金属化合物，包括中性和单电荷双金属化合物（例如，H $_{2}$、Li $_{2}$、LiH、Cd $_{2}$、Na $_{2}^{+}$和RbH $^{-}$）、长程结合的化合物（例如，NaAr、CdNe、He $_{2}$、CaHe、SrHe和BaHe）、亚稳分子双阳离子（例如，BeH $^{++}$、AlH $^{++}$、Mg $_{2}^{++}$和LiBa $^{++}$）和分子三价离子（例如，YHe $^{+++}$和ScHe $^{+++}$）。
英文摘要：
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$^{+++}$).
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