Exchange in low-energy electron-molecule scattering: Orthogonalization and free-electron-gas approximations for collisions with polar and nonpolar molecules

Journal Article · Thu Jan 01 04:00:00 EST 1981 · Phys. Rev., A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.23.127· OSTI ID:6745650

Morrison, M A; Collins, L A

Three approximate treatments of the exchange interaction in low-energy electron-molecule scattering are applied to a variety of collision systems. Static-exchange calculations for e-H/sub 2/, e-N/sub 2/, e-CO, e-LiH, e-HCl, and e-LiF collisions with scattering energies from 0.01 to 1.0 Ry are discussed, and results obtained using approximate treatments of exchange are compared with those obtained in a corresponding study in which exchange is incorporated exactly via an iterative procedure. The approximate treatments considered are orthogonalized-static, free-electron-gas model potential, and orthogonalized-model-potential procedures. The latter procedure is found to be uniformly superior to other approximate methods for all systems studied, in many cases yielding results indistinguishable from those of the exact static-exchange calculation. Strengths and weaknesses of each method are discussed.

• Research Organization: Department of Physics and Astronomy, University of Oklahoma, Norman, Oklahoma 73019
• OSTI ID: 6745650
• Journal Information: Phys. Rev., A; (United States), Journal Name: Phys. Rev., A; (United States) Vol. 23:1; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METAL COMPOUNDS
CARBON COMPOUNDS
CARBON MONOXIDE
CARBON OXIDES
CHALCOGENIDES
CHARGE EXCHANGE
COLLISIONS
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
HYDRIDES
HYDROCHLORIC ACID
HYDROGEN
HYDROGEN COMPOUNDS
INORGANIC ACIDS
LITHIUM COMPOUNDS
LITHIUM FLUORIDES
LITHIUM HALIDES
LITHIUM HYDRIDES
MOLECULE COLLISIONS
NITROGEN
NONMETALS
OXIDES
OXYGEN COMPOUNDS