北京大学学报（自然科学版）2001，Vol.37Issue(2)：282-285,4.
O(1D)+HCl反应的精确含时量子波包计算
Accurate Time-dependent Wavepacket Calculation of O(1D)+HCl Reaction
林世鹰 1韩克利 1张增辉2
作者信息
- 1. 中国科学院大连化学物理研究所,
- 2. 纽约大学化学系
- 折叠
摘要
Abstract
Accurate 3D time-dependent wavepacket calculation for the O(1D)+HCl reaction has been carried out employing the BLRS potential energy surface(R Schinke.J Chem Phys,1980,80:5?510～5?517).The calculated cross section values are close to the quasiclassical trajectory results and the rate constants are in excellent agreement with experimental results.关键词
波包/含时/势能面/反应截面/反应速率/臭氧分类
化学化工引用本文复制引用
林世鹰,韩克利,张增辉..O(1D)+HCl反应的精确含时量子波包计算[J].北京大学学报（自然科学版）,2001,37(2):282-285,4.
