Success and limits of classical approximations in molecular scattering

PHYS 450

Alexandre Faure,, Laurent Wiesenfeld,, and Pierre Valiron, Laboratoire d'Astrophysique, Université Joseph-Fourier, Observatoire de Grenoble, BP 53, Grenoble Cedex 9, 38041, France
The computational cost of quantum molecular scattering calculations is known to dramatically increase with the number of coupled channels, that is with the total energy. Methods based on classical mechanics have therefore provided interesting alternatives in many applications. We will present recent results obtained for inelastic molecule-molecule collisions. Comparisons between experimental, quasi-classical and quantum results will be given. The intrinsic limitations of classical mechanics will be emphasized and possible solutions will be presented.


Poster Session
7:30 PM-10:00 PM, Wednesday, 13 September 2006 Moscone Center -- Hall D, Poster

Division of Physical Chemistry

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006