Multiple Gaussian wave-packet theory of H/sub 2/ diffraction and rotational excitation by collision with solid surfaces. Annual report

Technical Report · Sat Feb 01 04:00:00 EST 1986

OSTI ID:5612062

The Gaussian wave packets and the coupled channel method are combined to develop a theory of H/sub 2/ diffraction and rotational excitation by collision with surfaces. This improves our previous work on H/sub 2/ 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 approach can be removed by using extending method proposed by Flect, Morris and Felt, which propagates the Gaussian wave function exactly and efficiently.

• Research Organization: California Univ., Santa Barbara (USA). Quantum Inst.
• OSTI ID: 5612062
• Report Number(s): AD-A-166291/5/XAB; TR-11
• Country of Publication: United States
• Language: English

Related Subjects

640301* -- Atomic
Molecular & Chemical Physics-- Beams & their Reactions
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BEAMS
COHERENT SCATTERING
COLLISIONS
DIFFRACTION
DYNAMICS
ELEMENTS
ENERGY-LEVEL TRANSITIONS
EXCITATION
HYDROGEN
MECHANICS
MOLECULAR BEAMS
MOLECULE COLLISIONS
NONMETALS
SCATTERING
SURFACES
TRAJECTORIES
WAVE PACKETS