高等学校化学学报

高等学校化学学报 ›› 1995, Vol. 16 ›› Issue (1): 136.

• 研究简报 • 上一篇    下一篇

处理量子反应散射的负虚数势方法

蔡宇民1, 胡旭光1, 李前树2   

  1. 1. 西安石油学院化学工程系, 西安 710061;
    2. 吉林大学理论化学研究所, 长春 130023
  • 收稿日期:1994-03-04 修回日期:1994-08-26 出版日期:1995-01-24 发布日期:1995-01-24
  • 通讯作者: 蔡宇民,女,33岁,讲师.
  • 作者简介:蔡宇民,女,33岁,讲师.
  • 基金资助:

    国家自然科学基金

Method of Negative Imaginary Potentials for Treating Quantum Reactive Scattering

CAI Yu-Min1, HU Xu-Guang1, LI Qian-Shu2   

  1. 1. Department of Chemical Engineering, Xi'an Petroleum Institute, Xi'an, 710061;
    2. Institute of Theoretical Chemistry, Jilin University, Changchun
  • Received:1994-03-04 Revised:1994-08-26 Online:1995-01-24 Published:1995-01-24

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关键词: 反应散射, 反应几率, 光学势

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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