Molecular collisions : State-of-the-art calculations of inelastic collisions

Details Molecular collisions : State-of-the-art calculations of inelastic collisions Molecular collisions : State-of-the-art calculations of inelastic collisions

Oct 2008

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2008iaus..251..141w&link_type=abstract

Organic Matter in Space, Proceedings of the International Astronomical Union, IAU Symposium, Volume 251, p. 141-142

Astronomy and Astrophysics

Astrophysics

Astrochemistry, Molecular Data

Scientific paper

We set up a framework for calculating in a precise and controlled way the collisional properties of several molecules of astrophysical meaning. The quantities that are relevant for astrophysics are rotational and vibrational quenching/excitation rates by means of collisions of H2 with water and some organic molecules (HC3N, H2CO). We calculate those rates by means of successively determining a intermolecular potential energy surface and calculating inelastic cross sections and rates classically and/or quantum mechanically. These calculations are part of the European Union FP6 Molecular Universe program.

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