Mean Trajectory Gaussian Wave Packet Approach to Rotationally Inelastic Molecule-Surface Diffraction.
Abstract
The rotationally inelastic diffraction of H2 from a corrugated surface is investigated using a mean trajectory model. The center of mass motion is treated using Gaussian wave packets, which propagate on a rotationally averaged potential. This trajectory in turn drives the rotational transitions. The method is non-perturbative and allows for changes in mj, the rotational orientation, and agrees well with recent close coupling calculations. A connection is also made with the recent semiclassical trajectory work of DePrito. The effects of the attractive well depth on rotational excitation and diffraction are considered. Keywords: Rotationally inelastic molecule surface diffraction; Molecular hydrogen.
Document Details
- Document Type
- Technical Report
- Publication Date
- Feb 01, 1986
- Accession Number
- ADA166275
Entities
People
- Bret Jackson
- Horia Metiu
Organizations
- University of California, Santa Barbara