Testing wave packet dynamics in computing radiative association cross sections.
A time-dependent wave packet method is used to compute cross sections for radiative recombination reactions using the Li((2)S)+H(+)-->LiH(+)(X (2)Sigma(+))+gamma as a test case. Cross sections are calculated through standard time-to-energy mapping of the time-dependent transition moment and a useful method is introduced to deal with the low collision energy regime. Results are in quantitative agreement over the whole energy range 10(-4)-5 eV with previous time-independent results for the same system [I. Baccarelli, L. Andric, T. Grozdanov, and R. McCarroll, J. Chem. Phys. 117, 3013 (2002)], thereby suggesting that the method can be of help in computing radiative association cross sections for more complicated systems.
Martinazzo
Rocco
R
Department of Physical Chemistry and Electrochemistry, University of Milan, V. Golgi 19, 20133 Milan, Italy. rocco.martinazzo@unimi.it
Tantardini
Gian Franco
GF