Vibrational energy transfer in Ar-O_3 collisions: Comparison of rotational sudden, breathing sphere, and classical calculations

Reinhard Schinke (1) , Mikhail Ivanov (2)

1 MPIDS - Max-Planck-Institut für Dynamik und Selbstorganisation
2 MPI-DS

The state-specific vibrational energy transfer, $\Delta E_n$, in collisions of excited ozone molecules with argon atoms is investigated by means of the quantum mechanical infinite order sudden approximation. Calculations are performed for the isotopomers ${\rm ^{16}O}{\rm ^{16}O}{\rm ^{16}O}$, ${\rm ^{16}O}{\rm ^{18}O}{\rm ^{16}O}$, and ${\rm ^{16}O}{\rm ^{16}O}{\rm ^{18}O}$. The infinite order sudden approximation yields an energy transfer which at low ozone energies exceeds the energy transfer previously obtained with the breathing sphere approximation by an order of magnitude. For energies close to the dissociation threshold, however, the mismatch is reduced to less than a factor of two. On the other hand, the rotational sudden energy transfer agrees well with the results of classical trajectory calculations over a wide range of ozone energies.

Mots clés: Physical Sciences

Reinhard Schinke, Mikhail Ivanov. Vibrational energy transfer in Ar-O_3 collisions: Comparison of rotational sudden, breathing sphere, and classical calculations. Molecular Physics, 2010, 108 (03-04), pp.259-268. ⟨10.1080/00268970903397256⟩. ⟨hal-00580702⟩