摘要
在组态相互作用模型的基础上对Ｂｅ２＋等二电子系列基态电子关联能的计算方法进行了研究，利用变分原理，采用Ｂ样条处理径向基，用“混合Ｌ”法处理角向基，给出Ｈｅ，Ｈ－，Ｌｉ＋，Ｂｅ２＋，Ｂ３＋等５种原子（离子）系列的有关计算结果，并与其它理论方法计算的结果作了对比，显示出Ｂ样条方法优越的计算能力．
We report the investigation on calculation methods of ground state correlation energy of double electron system atoms (or ions) by using B splines basic sets. These methods are part of application category of calculas of variations, and adopt B splines techniques to deal with the radial bases, and at the same time, deal with the angular bases by using Goldman′s mixed L method. We give calculation results of He, H -, Li +, Be 2+ , B 3+ atoms (or ions), and compare these results with others′ theoratical methods. This comparison demonstrates that our calculation methods have excellent computing accuracy and efficiency.
出处
《武汉大学学报（自然科学版）》
CSCD
1998年第3期333-336,共4页
Journal of Wuhan University(Natural Science Edition)
基金
中国科学院武汉物理与数学研究所波谱与原子分子物理实验室开放基金
关键词
二电子系列
CI方法
B样条
关联能
铍离子
基态
double electron system, Configuration interation(CI) method, B splines, correlation energy
