Molecular collisions : State-of-the-art calculations of inelastic collisions
Abstract
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.
- Publication:
-
Organic Matter in Space
- Pub Date:
- October 2008
- DOI:
- 10.1017/S174392130802139X
- Bibcode:
- 2008IAUS..251..141W
- Keywords:
-
- Astrochemistry;
- molecular data