title: Rotational excitation of H2O by para-H2 from an adiabatically reduced dimensional potential.
abstract: Cross sections and rate coefficients for low lying rotational transitions in H(2)O colliding with para-hydrogen pH(2) are computed using an adiabatic approximation which reduces the dimensional dynamics from a 5D to a 3D problem. Calculations have been performed at the close-coupling level using the recent potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008)]. A good agreement is found between the reduced adiabatic calculations and the 5D exact calculations, with an impressive time saving and memory gain. This adiabatic reduction of dimensionality seems very promising for scattering studies involving the excitation of a heavy target molecule by a light molecular projectile.
authors.affiliation: Laboratoire Interdisciplinaire Carnot de Bourgogne - UMR 6303, CNRS - Université de Bourgogne, 9 Ave. Alain Savary, B.P. 47870, F-21078 Dijon Cedex, France. Yohann.Scribano@u-bourgogne.fr
authors.forename: Yohann
authors.initials: Y
authors.lastname: Scribano
authors.forename: Alexandre
authors.initials: A
authors.lastname: Faure
authors.forename: David
authors.initials: D
authors.lastname: Lauvergnat