CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1998, Vol. 15 ›› Issue (4): 457-462.
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Liu Lianjun1, Li Long1, Zhang Zhehua1, Qiao Haoxue2, Li Baiwen2
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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.
Key words: double-electron system, Configuration-interaction (CI) method, B-splines, correlation energy
CLC Number:
O562
O176
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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http://www.cjcp.org.cn/EN/Y1998/V15/I4/457