| A dynamical Lie algebraic mehtod for quantum reactive scattering |
| |
| 作者姓名： | 关大任 易希璋 丁世良 杨本会 华东明 |
| |
| 作者单位： | 1. Institute of Theoretical Chemistry，Shandong University，Ji'nan 250100，China; 2. Department of Physics，Shandong Normal University，Ji'nan 250014，China |
| |
| 基金项目： | ProjectsupportedbytheNationalNaturalScienceFoundationofChina (GrantNo .196 94 0 33) partiallybytheScienceFoundationforOverseasChineseScholarsandStudentsadministeredbytheStateEducationCommissionofChina (GrantNo .1992)andbytheStateKeyLaboratoryofTheor |
| |
| 摘 要： | Ｒａｐｉｄｐｒｏｇｒｅｓｓｉｎｔｈｅｔｈｅｏｒｙｏｆｑｕａｎｔｕｍｒｅａｃｔｉｖｅｓｃａｔｔｅｒｉｎｇｈａｓｂｅｅｎｍａｄｅｉｎｔｈｅｐａｓｔｆｅｗｙｅａｒｓ.Ａｓａｒｅｓｕｌｔｏｆｔｈｅｐｒｏｇｒｅｓｓｏｎｅｃａｎｎｏｗｃａｌｃｕｌａｔｅｅｘａｃｔｓｔａｔｅ＿ｔｏｓｔａｔｅｒｅａｃｔｉｏｎｃｒｏｓｓｓｅｃｔｉｏｎｓｆｏｒａｆｅｗｆｕｎｄａｍｅｎｔａｌｒｅａｃｔｉｏｎｓ.Ａｍｏｎｇｖａｒｉｏｕｓｆｏｒｍｕｌａｔｉｏｎｓｏｆｔｈｅｔｈｅｏｒｅｔｉｃａｌａｐｐｒｏａｃｈ,ｔｈｅＳｍａｔｒｉｘＫｏｈｎｖ…
|
| 收稿时间： | 24 December 1997 |
A dynamical Lie algebraic mehtod for quantum reactive scattering |
| |
| Daren Guan,Xizhang Yi,Shiliang Ding,Benhui Yang,Dongming Hua.A dynamical Lie algebraic mehtod for quantum reactive scattering[J].Science in China(Chemistry),1998,41(5):460-470. |
| |
| Authors: | Daren Guan Xizhang Yi Shiliang Ding Benhui Yang Dongming Hua |
| |
| Institution: | (1) Institute of Theoretical Chemistry, Shandong University, 250100 Ji’nan, China;(2) Department of Physics, Shandong Normal University, 250014 Ji’nan, China |
| |
| Abstract: | The dynamical Lie algebraic method is used to describe the quantum reactive scattering. For the collinear exchange reaction
A+BC→AB+C, an analytical expression for the reactive transition probability, which involves the main dynamic parameters of
the system, is explicitly given. Numerical test calculations are carried out for the collinear reaction scattering H+H2 (n
= 0)→H2 (n’ = 0)+H. The results show that the dynamical Lie algebraic method is very efficient for computing reaction probabilities.
Project supported by the National Natural Science Foundation of China (Grant No. 19694033), partially by the Science Foundation
for Overseas Chinese Scholars and Students, administered by the State Education Commission of China (Grant No. 1992), and
by the State Key Laboratory of Theoretical and Computational Chemistry of Jilin University at Changchun (Grant No. 9801) |
| |
| Keywords: | dynamics of chemical reactions dynamical Lie algebraic method quantum reactive scattering |
| 本文献已被 CNKI SpringerLink 等数据库收录！ |
