Li，Na，K与Ar相互作用势的计算  

Calculation of Interaction Potentials of Li,Na,K with Ar

作　　者：黄翠香[1] 李劲[1,2] 杨向东[1] 吕兵[1,3] 

机构地区：[1]四川大学原子与分子物理研究所,四川成都610065 [2]海南大学材料与化工学院,海南海口570228 [3]贵州师范大学理学院,贵州贵阳550001

出　　处：《四川师范大学学报（自然科学版）》2009年第1期81-84,共4页Journal of Sichuan Normal University（Natural Science）

基　　金：国家自然科学基金(10574096);教育部高等学校博士点专项科研基金(20050610010)资助项目

摘　　要：从Na,K与稀有气体之间的色散系数、势阱位置及势阱深度出发,利用T-T势模型,求出Na,K与稀有气体之间的Born-Mayer系数,同时在电荷密度重叠积分及组合规则的基础上,求出了Na,K的Born-Mayer系数;在已知Li,Na,K及Ar的Born-Mayer系数的条件下,计算了Li-Ar,Na-Ar,K-Ar原子系统的相互作用势,并采用T-T势模型构成Li,Na,K原子与Ar原子间的全程势能曲线与实验结果进行了比较,所得到的势阱参数值与实验值符合较好.According to dispersion coefficients and the potential well parameters of Na, K with the inert gas atoms, this paper cal- culated the Born-Mayer coefficients of Na, K and the inert gas atoms systems by the model of T-T potential. Then we got the Born-Mayer coefficients of Na,K based on charge-density overlap integral and the combination rule. With the known Born-Mayer coefficients of Li, Na,K and Ar, we calculated the interaction potential of Li-Ar, Na-Ar, K-Ar. Finally, the full interaction potcntial energy curves of Li-Ar,Na-Ar, K-Ar were drawn by T-T potential model, wllich were compared with the experimental values, and the results of potential well parameters werc in good agreement with the experimental values.

关 键 词：电荷密度重叠积分 组合规则 T-T势 

分 类 号：O561.1[理学—原子与分子物理]