Parameter-free model of the correlation-polarization potential for electron-molecule collisions

N. T. Padial and D. W. Norcross
Phys. Rev. A 29, 1742 – Published 1 April 1984
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Abstract

A model potential that includes both correlation and polarization effects is proposed for electron-molecule collisions. It is based, as suggested by O'Connell and Lane, on a hybridization of local electron-gas theory for short distances and the asymptotic form of the polarization potential. It is energy independent and very simple to apply, depending only on the molecular charge density and polarizabilities. The potential has been calculated for several molecules (H2, N2, CO2, HF, HCl, and CO); the crossing point between the correlation and polarization potentials is remarkably constant, averaging 0.96 eV. Application in scattering calculations for H2 and N2 yields very encouraging results.

  • Received 17 October 1983

DOI:https://doi.org/10.1103/PhysRevA.29.1742

©1984 American Physical Society

Authors & Affiliations

N. T. Padial and D. W. Norcross*

  • Joint Institute for Laboratory Astrophysics, University of Colorado and National Bureau of Standards, Boulder, Colorado 80309

  • *Quantum Physics Division, National Bureau of Standards.

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Vol. 29, Iss. 4 — April 1984

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