Electron collisions with highly polar molecules: Comparison of model, static, and static-exchange calculations for alkali-metal halides

Journal Article · Tue Aug 01 04:00:00 EDT 1978 · Phys. Rev., A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.18.467· OSTI ID:6682076

Collins, L A; Norcross, D W

Calculations of cross sections for (vibrationally and electronically) elastic collisions of electrons with several alkali-metal halides were performed for energies in the range of 0.13 to 20.0 eV. The applicability of the adiabatic (fixed-nuclei) approximation for strongly polar systems is investigated by model calculations on CsF, KI, and LiF. We demonstrate that integrated, momentum transfer, and differential cross sections for polar systems can be reliably generated entirely within the body-frame, adiabatic approximation. We also suggest resolutions of several discrepancies between the results of earlier calculations and between these results and measurements. Close-coupling calculations, based on the adiabatic approximation and an alternative form of the frame transformation, were performed for electron-LiF collisions using the full static and static model-exchange surface. Reasonable agreement was found with measured differential cross sections at 5.44 and 20.0 eV. Shape resonances in the ..sigma.. and Pi body-frame symmetries, centered near 1.8 and 1.5 eV, respectively, were observed. Similar features appeared in static-exchange calculation for NaF and NaCl. We also compare the results of the static and static-exchange calculations with the results of calculations using simpler model potentials and other approaches to the collision problem.

• Research Organization: Joint Institute for Laboratory Astrophysics, National Bureau of Standards and University of Colorado, Boulder, Colorado 80309
• OSTI ID: 6682076
• Journal Information: Phys. Rev., A; (United States), Journal Name: Phys. Rev., A; (United States) Vol. 18:2; 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
CESIUM COMPOUNDS
CESIUM FLUORIDES
COLLISIONS
CROSS SECTIONS
ELASTIC SCATTERING
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ENERGY RANGE
EV RANGE
EV RANGE 01-10
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
INORGANIC PHOSPHORS
IODIDES
IODINE COMPOUNDS
LITHIUM COMPOUNDS
LITHIUM FLUORIDES
LITHIUM HALIDES
MOLECULE COLLISIONS
PHOSPHORS
POTASSIUM COMPOUNDS
POTASSIUM IODIDES
SCATTERING