CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1993, Vol. 10 ›› Issue (4): 513-516.

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HARTREE-FOCK BASIS PROGRAM WITH ρ=αr+βlnr RADIAL MESH

Xi Jinhua, Wu Lijin, Li Baiwen   

  1. Laboratory of Magnetic Resonance and Atonic and Molecular Physics, Wuhan Institute of Physics, The Chinese Academy of Sciences, Wuhan
  • Received:1992-06-01 Revised:1993-03-09 Online:1993-12-25 Published:1993-12-25

Abstract: Based on the multi-configuration Hartree-Fock program code designed by Fischer, a program code is presented for treating the bound states as well as the continuum states, with transforming the radial mesh from ρ=lnZr to ρ=αr+βlnr. As an illustration of the completeness of the basis sets obtained from this program, the results of Thomas-Reiche-Kuhn sums under the Coulomb potential, are given as well.

Key words: radial mesh, Hartree-Fock complete basis, completeness