超球方法计算范德瓦尔斯三聚体Ar_2Kr和Ar_3基态性质  

Calculation of Ground Energy and Rotational Constant of van der Waals Trimers Ar_2Kr and Ar_3 with Hyperspherical Method

作　　者：肖丽娥[1,2] 韩惠丽[2] 何小荣[1] 史庭云[2] 

机构地区：[1]广西大学物理科学与工程技术学院,广西南宁530004 [2]中国科学院武汉物理与数学研究所/波谱与原子分子物理国家重点实验室,湖北武汉430071

出　　处：《武汉大学学报（理学版）》2010年第4期423-428,共6页Journal of Wuhan University:Natural Science Edition

基　　金：国家自然科学基金资助项目(10847164)

摘　　要：利用新近发展的耦合道超球方法和最新的Tang-Toennies(TT)模型势,计算了由重惰性原子Ar和Kr构成的范德瓦尔斯三聚体Ar2Kr和Ar3的基态性质.本文系统的研究了超球势曲线、道函数的特征与收敛性,实现了有复杂多通道耦合时重惰性原子三聚体的精确求解,得到了Ar2Kr和Ar3惰性原子三聚体精确的基态能量、结构参数及转动常数.We present a caculation of ground state properties of van der Waals trimer Ar2Kr and Ar3 with our newly-developed hyperspherical approach. The latest proposed accurate Tang-Toennies （TT） potentials are used in the calculations. A systematic convergence tests for hyperspherical potential curves and channel functions are performed to assess the validity and efficiency. The challenging three-body problem with complex channel-coupling is solved efficiently and the accurate ground-state energy,structure parameters,and rotation constants for Ar2Kr and Ar3 are obtained.

关 键 词：超球方法 Tang-Toennies(TT)模型势 B样条 基态能量 转动常数 

分 类 号：O561.1[理学—原子与分子物理]