A dynamical Lie algebraic mehtod for quantum reactive scattering
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.
Keywordsdynamics of chemical reactions dynamical Lie algebraic method quantum reactive scattering
Unable to display preview. Download preview PDF.
- 1.Miller, W. H., Recent advances in quantum mechanical reactive scattering theory, including comparison of recent experiments with rigorous calculations of state-to-state cross sections for the H/D+H2+H2/HD+H reactions,Annu. Rev. Phys. Chem., 1990, 41: 245.Google Scholar
- 7.Guan, D., Ding, S., Yang, B. et al., A Lie algebraic approach to the collinear collisions between two diatomic molecules,Int. J. Quantum Chem., 1997, 69: 168.Google Scholar
- 8.Guan, D., Yi, X., Ding, S. et al., Dynamical Lie algebraic description of reactive collisions,J. Mol. Sci. (in Chinese), 1997, 13: 135.Google Scholar
- 12.Yi, X., Ma, L.,Methods of Mathematical Physics in Chemistry and Biology (in Chinese)., Ji’nan: Shandong University Press, 1991.Google Scholar
- 14.Johnson, R. E.,Introduction to Atomic and Molecular Collisions, New York: Plenum Press, 1982.Google Scholar