处理量子反应散射的负虚数势方法

处理量子反应散射的负虚数势方法蔡宇民，胡旭光，李前树（西安石油学院化学工程系．西安，７１００６１）（吉林大学理论化学研究所，长春，１３００２３）关键词反应散射，反应几率，光学势近年来，处理反应散射问题的各种严格的和近似的量子力学方法发展迅速［１～５］...

Method of Negative Imaginary Potentials for Treating Quantum Reactive Scattering

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.