Generalization of the linear algebraic method to three dimensions

D. L. Lynch and B. I. Schneider
Phys. Rev. A 43, 172 – Published 1 January 1991

Abstract

We present a numerical method for the solution of the Lippmann-Schwinger equation for electron-molecule collisions. By performing a three-dimensional numerical quadrature, this approach avoids both a basis-set representation of the wave function and a partial-wave expansion of the scattering potential. The resulting linear equations, analogous in form to the one-dimensional linear algebraic method, are solved with the direct iteration-variation method. Several numerical examples are presented. The prospect for using this numerical quadrature scheme for electron-polyatomic molecules is discussed.

  • Received 30 July 1990

DOI:https://doi.org/10.1103/PhysRevA.43.172

©1991 American Physical Society

Authors & Affiliations

D. L. Lynch

  • Department of Chemistry, University of Nevada, Reno, Reno, Nevada 89557

B. I. Schneider

  • Theory Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545

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Vol. 43, Iss. 1 — January 1991

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