CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1998, Vol. 15 ›› Issue (4): 457-462.

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CORRELATION ENERGY OF DOUBLE ELECTRON SYSTEM OBTAINED BY USING B-SPLINES BASIC SETS

Liu Lianjun1, Li Long1, Zhang Zhehua1, Qiao Haoxue2, Li Baiwen2   

  1. 1. Department of Physics, The Theory College of Wuhan University, 430072;
    2. Wuhan Institute of Physics, Chinese Academy of Science, 430071
  • Received:1997-11-24 Online:1998-07-25 Published:1998-07-25

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: