Chemical Research in Chinese Universities ›› 1987, Vol. 3 ›› Issue (2): 56-64.
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Liu Chengbu, Deng Conghao
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Abstract: Several conclutlons drawn from the using of diffuse functions in the ab initio study of molecular anions are discussed.The orbital exponents of the diffuse functions for some basis sets have been determined by using the method of linear fitting.These values are nearly identical with those obtained by method of optimization.
Liu Chengbu, Deng Conghao. Several Conclusions Concerning Diffuse Functions[J]. Chemical Research in Chinese Universities, 1987, 3(2): 56-64.
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