依据排列通道量子力学方法计算了H2的非对称同位素分子HD的核间距和离解势能曲线,将二者的核间距和离解势能曲线进行了对比分析.定性地分析了HD电子云的分布情况,并将Thomas—Fermi势引入到势能的计算中,和实验数据相比,得到了比较满意的结果.
In this paper, the dissociation energy curve for HD and its internuclear distance have been calculated using arrangement-channel quantum mechanics( ACQM ). A comparison of the internuclear distance and dissociation energy of HD molecule with those of H2 molecule has been made. The quantitative analysis has been made for the distribution of HD electron cloud. In the calculation, the Thomas-Fermi potential has been applied to the calculation. In comparison with experimental data, the results are satisfied.