用代数方法精确研究Li2分子部分电子态的高阶振动能级和离解能

摘要

用代数能量方法得到了Li2分子9个电子态的振动光谱常数,完全振动能谱{Ev }和分子离解能De.结果显示:振动能谱{Ev}不仅能重复有限的已知实验数据,而且能给出一些未知的高阶振动能量.用AEM所得到的离解能很好的符合了已知的实验值De.对一些双原子系统,当无法得到实验离解能时,用AEM方法也能得到合理的近似离解能值.%The vibrational spectroscopic constants, full vibrational energy spectra {Ev}, and molecular dissociation energies De, for nine electronic states of Li2 molecule are obtained using algebraic energy method (AEM). The results show that the generated vibrational energy spectrum {Ev } not only reproduces limited known experimental data but also correctly gives all unknown high-lying vibrational energies. The AEM dissociation energy excellently agrees with known experimental De , and the AEM can generate reasonable approximate De for the diatomic system whose experimental dissociation energy is not available.