| 采用B样条有限基集获得等电子系列基态关联能 |
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| 引用本文： | 刘莲君,李龙,张哲华,乔豪学,李白文. 采用B样条有限基集获得等电子系列基态关联能[J]. 计算物理, 1998, 15(4): 457-462 |
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| 作者姓名： | 刘莲君 李龙 张哲华 乔豪学 李白文 |
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| 作者单位： | 1. 武汉大学理学院物理学系 430072;2. 中国科学院武汉物理所 430071 |
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| 基金项目： | 中科院武汉物理所波谱与原子分子物理国家重点实验室开放基金资助课题 |
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| 摘 要： | 报导了基于组态相互作用模型对几种双电子原子(离子)系统基态电子关联能的计算方法研究,方法上属于变分法应用的范畴,技巧上采用B样条处理径向基,同时又用Goldman[3]提出的"混合L"法处理角向基,给出He,H-,Li+,Be++,B+++等五种原子(离子)系统的有关计算结果,还与其它理论方法的相应结果作了对比,显示出良好的计算精度和效率
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| 关 键 词： | 等电子系列 CI方法(Configuration-interaction Method) B样条 关联能 |
| 收稿时间： | 1997-11-24 |
CORRELATION ENERGY OF DOUBLE ELECTRON SYSTEM OBTAINED BY USING B-SPLINES BASIC SETS |
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| Liu Lianjun,Li Long,Zhang Zhehua,Qiao Haoxue,Li Baiwen. CORRELATION ENERGY OF DOUBLE ELECTRON SYSTEM OBTAINED BY USING B-SPLINES BASIC SETS[J]. Chinese Journal of Computational Physics, 1998, 15(4): 457-462 |
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| Authors: | Liu Lianjun Li Long Zhang Zhehua Qiao Haoxue Li Baiwen |
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| Affiliation: | 1. Department of Physics, The Theory College of Wuhan University, 430072;2. Wuhan Institute of Physics, Chinese Academy of Science, 430071 |
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| Abstract: | It reports 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 belong to the application category of calculus of variations, and adopt B-splines techniques to account for the radial bases, and at the same time, deal with the angular bases by using Goldman's mixed L method. The calculation results are given for He, H-,Li+,Be++,B+++ atoms (or ions) and compared with those of others' theoratical methods. This comparison demonstrates that our calculation methods have excellent computing accuracy and efficiency. |
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| Keywords: | double-electron system Configuration-interaction (CI) method B-splines correlation energy |
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