Nonadiabatic effects in the collision of F(/sup 2/P) with H/sub 2/(/sup 1/. sigma. /sub g//sup +/). III. Scattering theory and coupled-channel computations

Journal Article · Sat Oct 01 00:00:00 EDT 1977 · J. Chem. Phys.; (United States)

OSTI ID:7090772

Rebentrost, F; Lester, Jr, W A

The theory of nonreactive atom--diatom collisions in the presence of multiple electronic surfaces is developed in both space-fixed and body-fixed coordinate frames. The formalism is applied to the scattering of fluorine atoms by para- and ortho-hydrogen molecules. Coupled-channel computations of integral cross sections for fine structure and rotational transitions are carried out in the rigid rotor approximation using ab initio self-consistent-field potential energy surfaces and are facilitated by the use of a diabatic representation of the molecular channel states. The magnitudes of the cross sections at a specific translational energy are found in general to decrease with increasing energy defect. For F(/sup 2/P/sub 1/2/)+p-H/sub 2/ the cross section for a near resonant electronic-to-rotational energy transfer process dominates other inelastic transitions by at least an order of magnitude.

• Research Organization: IBM Research Laboratory, San Jose, California 95193
• OSTI ID: 7090772
• Journal Information: J. Chem. Phys.; (United States), Vol. 67:7
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
FLUORINE
ATOM-MOLECULE COLLISIONS
HYDROGEN
CROSS SECTIONS
ENERGY TRANSFER
ENERGY-LEVEL TRANSITIONS
FINE STRUCTURE
INELASTIC SCATTERING
ROTATIONAL STATES
ATOM COLLISIONS
COLLISIONS
CRYOGENIC FLUIDS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
HALOGENS
MOLECULE COLLISIONS
NONMETALS
SCATTERING
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena