Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (1): 136.
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CAI Yu-Min1, HU Xu-Guang1, LI Qian-Shu2
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Abstract: In this paper three kinds of initial translational wave functions are selected for the method of negative imaginary potentials,and their influences on the calculations of reaction probabilities for collinear atom-diatom reactive scattering are examined. The results show that highly decaying function factors at the origin must be included in the initial translational wave functions. The approximate translational wave functions selected in the paper can obviously raise the accuracy of the calculational results.
Key words: Reactive scattering, Reaction probability, Optical potential
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CAI Yu-Min, HU Xu-Guang, LI Qian-Shu. Method of Negative Imaginary Potentials for Treating Quantum Reactive Scattering[J]. Chem. J. Chinese Universities, 1995, 16(1): 136.
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http://www.cjcu.jlu.edu.cn/EN/Y1995/V16/I1/136