Consideration of the exit channel velocity effect upon inelastic cross sections computed by the infinite-order sudden approximation

Journal Article · Sun Mar 15 04:00:00 EST 1981 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.441535· OSTI ID:6616638

Agrawal, P M; Raff, L M

A modified form for the state-to-state inelastic cross section in infinite-order sudden calculations that is explicitly dependent upon the exit-channel energy is derived. This modified IOSA formalism has been applied to the rigid-rotor CO/sub 2/--He system using the electron-gas surface previously obtained by Parker, Snow, and Pack. It is shown that the modified IOSA equations yield zero cross sections for inelastic channels that are closed by energy conservation constraints whereas significant nonzero values are obtained from standard IOSA calculations. In addition, it is shown that the suggested modification brings the infinite-order sudden results into much better accord with quasiclassical trajectory calculations for all exit channels.

• Research Organization: Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma 74078
• OSTI ID: 6616638
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 74:6; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
COLLISIONS
CROSS SECTIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
FLUIDS
GASES
HELIUM
INELASTIC SCATTERING
MOLECULE COLLISIONS
NONMETALS
OXIDES
OXYGEN COMPOUNDS
RARE GASES
ROTATIONAL STATES
SCATTERING
SUDDEN APPROXIMATION