用B样条技术研究氢分子离子能级的收敛性  

A Study of Convergency about the Energy Levels of H_2^+ with B-splines Technology

作　　者：惠萍[1] 

机构地区：[1]广东教育学院物理系 广东广州510303

出　　处：《广东教育学院学报》2005年第3期37-40,共4页Journal of Guangdong Education Institute

基　　金：国家自然科学基金资助项目(10174098);广东省自然科学基金资助项目(33446);广东教育学院教授博士专项经费资助项目

摘　　要：采用单中心展开方法和Bohn-Oppenheimer近似计算氢分子离子的能级,采用B样条基函数展开氢分子离子的波函数,通过调整B样条阶数、B样条基数及径向积分限等参数,研究氢分子离子的能级的收敛性,展示了B样条基函数独特的灵活性和广泛的应用前景.The one-center expansion method and Bohn-Oppenheimer approximation are sued to calculate energy levels of H^+_2. In the calculation, the B-splines basis functions are used to build into the trial wave functions and angular wave functions of H^+_2. The parameters for the number of knots, the order of the B-splines, the number of the basis functions and the radial integral interval then are adjusted to study convergency of H^+_2 energy levels. The calculating results show the advantage of flexibility of the B-splines function. This method can easily be extended to the study of multi-atom molecular.

关 键 词：B样条基函数 氢分子离子 能级 收敛性 单中心展开 

分 类 号：O562.1[理学—原子与分子物理]