The validities of centrifugal sudden approximations in chemical reaction dynamics |
| |
| Authors: | Tianshu Chu Dongyue Liang Jinmei Xu Shunle Dong |
| |
| Institution: | 1. Institute for Computational Sciences and Engineering, Laboratory of New Fiber Materials and Modern Textile, the Growing Base for State Key Laboratory, Qingdao University, Qingdao, China;2. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China;3. Department of Modern Physics, University of Science and Technology of China, Hefei, China;4. College of Information Science and Engineering, Ocean University of China, Qingdao, China |
| |
| Abstract: | In this review article, we discuss and analyze the validities of centrifugal sudden (CS) approximations in chemical reactions, with emphasis on the recent progress in the comparison studies of close‐coupling and CS approximations in chemical dynamics both adiabatically and nonadiabatically. All these relevant studies are performed using the time‐dependent wave packet approach, focusing on several typical and benchmark chemical reactions, for example, the triatomic adiabatic ion–molecule reactions of Ne +  , He + HeH+, O+ + H2, O+ + D2, and O+ + HD, the triatomic nonadiabatic reactions of N + NH and O + N2, and the tetraatomic and polyatomic adiabatic reactions of H2 + D2 and H + CHD3. © 2015 Wiley Periodicals, Inc. |
| |
| Keywords: | Coriolis‐coupling effects centrifugal sudden approximations chemical reaction dynamics time‐dependent quantum wave packet adiabaticity nonadiabaticity |
|
|
