Electron scattering by CO/sub 2/: Elastic scattering, rotational excitation, and excitation of the asymmetric stretch at 10 eV impact energy

Journal Article · Mon Jun 15 04:00:00 EDT 1981 · J. Chem. Phys.; (United States)

OSTI ID:6406026

Thirumalai, D; Onda, K; Truhlar, D G

Coupled-channels calculations based on an effective potential are presented for electron scattering by CO/sub 2/ at 10 eV impact energy. The processes studied are pure elastic scattering, rotational excitation, and vibrational excitation of the asymmetric stretch; the vibrational excitation is always accompanied by rotational excitation. The quantities calculated are differential, partial, integral, and momentum transfer cross sections, both state to state and summed over final rotational states for a given final vibrational level. The effective potential is based on the INDOX2/1s method for the static and polarization potentials and the semiclassical exchange approximation for the exchange potential. There are no empirical parameters. The present calculations are compared to experiment and to previous calculations where available, and we also perform calculations with an altered polarization potential to further elucidate the reasons for the differences from one of the previous calculations. The agreement of the present results with the experimental rotationally summed, vibrationally inelastic differential cross section is excellent.

• Research Organization: Department of Chemistry and Chemical Physics Program, University of Minnesota, Minneapolis, Minnesota 55455
• OSTI ID: 6406026
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 74:12; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
COLLISIONS
CROSS SECTIONS
DIFFERENTIAL CROSS SECTIONS
ELASTIC SCATTERING
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ENERGY LEVELS
ENERGY RANGE
ENERGY-LEVEL TRANSITIONS
EV RANGE
EV RANGE 01-10
EXCITATION
EXCITED STATES
MOLECULE COLLISIONS
OXIDES
OXYGEN COMPOUNDS
ROTATIONAL STATES
SCATTERING
VIBRATIONAL STATES