HD分子的核间距和离解势能的排列通道法计算  

Calculation of Internuclear Distance and Dissociation Energy for HD Molecule with Arrangement-channel Quantum Mechanics

作　　者：刘玲[1] 缪竞威[1] 蒋相站[1] 朱洲森[1] 

机构地区：[1]四川师范大学物理与电子工程学院,四川成都610066

出　　处：《四川师范大学学报（自然科学版）》2008年第5期567-570,共4页Journal of Sichuan Normal University（Natural Science）

基　　金：国家自然科学基金(10574095)资助项目

摘　　要：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.

关 键 词：排列通道量子力学 核间距 基态势能 Thomas—Fermi势 

分 类 号：O562.2[理学—原子与分子物理]