Inelastic rovibrational transitions
for species of atmospheric and astrophysical interest:
Inelastic rovibrational transitions for species of atmospheric and
astrophysical interest
For the inelastic molecular collisions the
Close-Coupled equations in the energy domain will be solved.
Unfortunately, most of the available codes do not cover all
contributions and interactions to the matrix elements –such as
electronic transitions, non-adiabatic coupling, or some of the spin
interaction, spinrotation we could be interested in. For this reason,
we are writing our own code, in principle for simple systems such as
diatomic + diatomic, taking advantage of our previous experience
[1,2], in order to incorporate any new feature that the
refinements in the calculation of the PES or new
experimental data could produce.
[1].-Di Domenico et al, Chem. Phys. Lett. 342,
177 (2001); b) Di Domenico et
al, J. Chem. Phys. 115, 7897
(2001).
[2].-M .I. Hernández, D. C. Clary, J. Chem. Phys., 104, 8413 (1996).
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