Acta Phys. -Chim. Sin. ›› 2003, Vol. 19 ›› Issue (06): 543-548.doi: 10.3866/PKU.WHXB20030613

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Perturbation Potential of Twobody and Analytic Potential of Threeatom Interaction for Pathway Reaction of H2O

Zhang Wen-Xia;Tian Feng-Hui;Chen Shou-Gang;Wang Ze-Xin   

  1. Department of Chemistry, Shandong Normal University, Jinan 250014
  • Received:2002-11-29 Revised:2003-01-14 Published:2003-06-15
  • Contact: Wang Ze-Xin E-mail:wangzexin@sdnu.edu.cn

Abstract: The concept of twobody perturbation potential was introduced in this paper, and a new theoretical method was offered for the analytic potential of threeatom interaction,which is constructed by perturbation potential of twobody. Using this method, the analytic potential function of H2O, which is a nonlinear threeatom interaction system, was obtained. The potential correctly described the character of pathways in the O(1D)+H2→H2O→OH+H reaction. The theoretical results are in well agreement with the experimental results. This method is easily extended to construct the analytic potential of fouratom interaction system.

Key words: H2O, Twobody perturbation potential, Threeatom system,