A multiple Gaussian wave packet theory of H2 diffraction and rotational excitation by collision with solid surfaces

Publisher Website
Google Scholar
Abstract
We combine Gaussian wave packets and the coupled channel method to develop a theory of H2 diffraction and rotational excitation by collision with surfaces. This improves our previous work on H2 diffraction since it eliminates the mean trajectory approximation; it also extends Heller’s work to problems in which the dynamics require the creation of new packets which must be coupled to each other as they are propagated through the interaction region. The approximations involved in the above Gaussian wave packet can be removed by extending a method proposed by Fleck, Morris, and Feit, which propagates the Gaussian wave function exactly and efficiently.