Li、Na、K与He原子系统相互作用势的理论研究  

A theoretical study of potentials for Li,Na,K with He atoms in the ground state

作　　者：李劲[1,2] 令狐荣锋[1,3] 黄翠香[1] 王赵[1,2] 

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

出　　处：《四川大学学报（自然科学版）》2008年第5期1179-1184,共6页Journal of Sichuan University(Natural Science Edition)

基　　金：国家自然科学基金(10574096);高等学校博士点专项科研基金(20050610010);贵州省教育厅自然科学重点项目(2005105)

摘　　要：首先求Na-Na、K-K相同原子间Born-Maye势参数,利用TT势模型和边界条件,从色散系数、势阱位置与深度出发,导出Na、K与Ne不同原子间的势参数,再从Na-Ne、K-Ne原子系统出发,利用组合规则计算出Na、K相同原子间的势参数;然后研究Li-He、Na-He、K-He原子系统,利用电荷密度重叠积分与组合规则,从相同原子间势参数计算不同原子的势参数.最后采用TT势模型构成Li、Na、K原子与He原子间的全程势能曲线.In this paper, the parameters of Born-Mayer potential of Na-Na and K-K atoms are found firstly. With the TT potential model, boundary conditions, dispersion coefficients and the well depth, the potential parameters of Na, K with Ne atoms are carried out. For Na-Ne and K-Ne systems, the parameters of Born- Mayer potential of Na-Na and K-K atoms are gotten by using combining rules. Secondly, the parameters of different atoms betwent Li-He, Na-He and K-He are calculated by charge-density overlap integral method. Furthermore, the full interaction potential energy curves of Li-He, Na-He and K-He are obtained with the aid of TT model.

关 键 词：TT势模型 电荷密度重叠积分 Born—Mayer势参数 组合规则 

分 类 号：O561.1[理学—原子与分子物理]