Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (11): 1155.

• Articles • Previous Articles     Next Articles

Modification of the Empirical Potential Energy Functions

Xu Zongrong, Tian Zhiyue   

  1. Huaxi Medical University, Chengdu
  • Received:1986-01-22 Revised:1988-02-08 Online:1988-11-24 Published:1988-11-24

Abstract: Ageneral method to modify the empirical potential energy functions is proposed V(r) =W(r)V'(r) with correction function W(r) = exp{p[((re/r)q-1]}. It has been successfully used for the modification of the Rydberg functicn and the Pseudogaussian (PG) function.

Key words: Potential energy function, Rydberg fonction Pseudogaussian function, Force Constant

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