Mean-trajectory Gaussian wave-packet approach to rotationally inelastic molecule-surface diffraction. Annual report
Technical Report
·
OSTI ID:5732758
The rotationally inelastic diffraction of H/sub 2/ 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 nonperturbative 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.
- Research Organization:
- California Univ., Santa Barbara (USA). Quantum Inst.
- OSTI ID:
- 5732758
- Report Number(s):
- AD-A-166275/8/XAB; TR-10
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
640301* -- Atomic
Molecular & Chemical Physics-- Beams & their Reactions
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BEAMS
COHERENT SCATTERING
COLLISIONS
DIFFRACTION
ELEMENTS
ENERGY-LEVEL TRANSITIONS
EXCITATION
HYDROGEN
INELASTIC SCATTERING
MOLECULAR BEAMS
MOLECULE COLLISIONS
MOTION
NONMETALS
SCATTERING
SURFACES
TRAJECTORIES
WAVE PACKETS
Molecular & Chemical Physics-- Beams & their Reactions
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BEAMS
COHERENT SCATTERING
COLLISIONS
DIFFRACTION
ELEMENTS
ENERGY-LEVEL TRANSITIONS
EXCITATION
HYDROGEN
INELASTIC SCATTERING
MOLECULAR BEAMS
MOLECULE COLLISIONS
MOTION
NONMETALS
SCATTERING
SURFACES
TRAJECTORIES
WAVE PACKETS