HD^＋核间距及基态势能曲线的排列通道量子力学计算  

THE CALCULATION OF SEPARATION AND POTENTIAL CURVE FOR MOLECULAR ION HD￣+ ON ARRANGEMENT-CHANNEL QUANTUM MECHANICS

作　　者：朱洲森[1] 缪竟威[1] 杨百方[1] 师勉恭[1] 唐阿友[1] 

机构地区：[1]四川大学原子核科学技术研究所

出　　处：《原子与分子物理学报》1994年第3期232-238,共7页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金;核工业科学基金

摘　　要：依据排列通道量子力学（ＡＣＱＭ）的基本原理，对分子离子ＨＤ＋的核间距和基态势能曲线以及离解能Ｄｅ做了理论计算，得到了ＨＤ＋的核间距为２．０７２５ａ０，并求得ＨＤ＋按两种方式离解时的势能曲线，认为多数ＨＤ＋应按Ｈ＋＋Ｄ的方式离解。通过比较计算，文章认为ＨＤ＋比更容易激发和离解，也更不稳定。同时文章对用ＡＣＱＭ解决非对称的同位素微团簇的一般方法做了简明阐述。In this paper, with the basic idea of arrangement -channel quantum mechanics(ACQM),We have calculated the internuclei separatiion of HD+molecular ion and its electronic dissociation energy, the values are 2. 0725ac, 2' 9511eV respectively. Through calculation, we find that the dissociation of HD+ is easier than that of Hi, and H is more static than HD+ though the separation of HD+ is less than that of but its bond energy is lower.

关 键 词：库仑爆炸 核间距 分子离子 ACQM 

分 类 号：O561.1[理学—原子与分子物理]