Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (11): 1155.
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Xu Zongrong, Tian Zhiyue
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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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Xu Zongrong, Tian Zhiyue . Modification of the Empirical Potential Energy Functions[J]. Chem. J. Chinese Universities, 1988, 9(11): 1155.
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http://www.cjcu.jlu.edu.cn/EN/Y1988/V9/I11/1155