CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1992, Vol. 9 ›› Issue (S2): 717-718.

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COMPUTATION OF AUXILIARY FUNCTIONS IN MOLECULAR INTEGRAL UP TO ARBITRARY ACCURACY(Ⅱ)——EVALUATION OF THE FIRST KIND MODIFIED SPHERICAL FUNCTION BY FORWARD RECUTRRRENCE SCHEME

Li Yanxin, Dong Xialan, Pan Shoufu   

  1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023
  • Received:1992-01-19 Online:1992-12-31 Published:1992-12-31

Abstract: With regard to evaluation of auxiliary function Iμ(x)up to arbitrary accuracy, it is required that the forward recurrence scheme of the function can be used as far as possible. Applying a new inequality found by us, we have set up a criterion which can accurately decide whether the requirement can be met.

Key words: slater type orbital, molecular integrals, bessel function, error analysis, inequality