Cumulative Reaction Probabilities of Cl+H_(2) from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant

作     者：ZHAO Meishan 

作者机构：The James Franck InstituteThe University of ChicagoChicagoIllinois 60637USA 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：1994年第11卷第12期

页      面：730-733页

核心收录：

学科分类：07[理学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0704[理学-天文学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学] 

主　　题：momentum constants variational 

摘      要：We report the cumulative reaction probabilities(CRP)of the three-dimensional Cl+H_(2)→H+HCl calculated on the Stern-Persky-Klein potential energy surface,using the generalized Newton variational principle,for total angular momentum J=0,over a total reaction energy range from 9 to 19 kcal/*** relation between CRP and reaction rate constants,as well as the calculation for complete reaction rates(summed over all J),bypassing the direct calculation of the CRP s for J0,are also discussed.