摘要
本文回顾了最近十几年利用量子波包方法研究气相分子反应散射动力学的工作进展,特别是在态-态分辨水平上的工作进展。比较详细地讨论了目前存在的利用量子波包方法计算态-态微分截面的几种方法。目前态-态分辨的波包动力学计算可以精确地预测三原子和四原子分子反应散射的各种信息,文章最后对几个典型的利用波包方法在态-态分辨水平上研究过的三原子和四原子反应散射体系做了讨论。
The studies of gaseous reactive scattering dynamics by quantum wave packet method,especially at product-states resolved level,are reviewed.The current numerical methods for extracting product-states resolved attributives using quantum wave packet method are discussed.This theory now can present detailed and accurate predictions on the dynamics and kinetics of reactions containing three or four atoms.Several typical reactive scattering systems which have been studied using quantum wave packet method at product-states resolved level are briefed.
出处
《化学进展》
SCIE
CAS
CSCD
北大核心
2012年第6期1153-1165,共13页
Progress in Chemistry
基金
国家自然科学基金项目(No.21133006
21103187)资助
关键词
量子波包
态态分辨
反应散射
反应动力学
quantum wavepacket
product-state resolved
reactive scattering
reactive dynamics
