Beyond the primitive separable exchange approximation in electron-molecule scattering

C. William McCurdy and Thomas N. Rescigno
Phys. Rev. A 46, 255 – Published 1 July 1992
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Abstract

Separable approximations have been used in electron-molecule scattering calculations to avoid the computation of two-electron matrix elements involving continuum functions. We show that such matrix elements involving one continuum function (proportional to a spherical Bessel function at large distances) and three Gaussian functions can be reduced to a single numerical quadrature of an integral involving ordinary two-election integrals over only Gaussian functions. Using these integrals in the Kohn variational method for electron-molecule scattering allows one to avoid the limitations of a primitive separable approximation for exchange interactions by replacing it with a more stable Schwinger separable expansion. The procedure is demonstrated for electron scattering from the 2 3S state of helium.

  • Received 9 March 1992

DOI:https://doi.org/10.1103/PhysRevA.46.255

©1992 American Physical Society

Authors & Affiliations

C. William McCurdy and Thomas N. Rescigno

  • Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550

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Vol. 46, Iss. 1 — July 1992

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