Quantum wave-packet calculation of reaction probabilities, cross sections, and rate constants for Li + H2+ reaction.
The Li + H2+(upsilon,j) --> LiH(upsilon',j') + H+ reactive scattering has been studied by using quantum real wave-packet method. The state-to-state and state-to-all reaction probabilities for the entitled collision have been calculated. The probabilities show a smooth variation for all initial rotational quantum states. The J-shifting approximation has been employed to estimate the integral cross sections and thermal rate constants have been calculated.
Gogtas
Fahrettin
F
Department of Physics, Faculty of Science and Arts, Firat University, 23119 Elazig, Turkey. fgogtas@firat.edu.tr