Iterative approach to the Schwinger variational principle applied to electron—molecular-ion collisions

Creators: Lucchese, Robert R.; McKoy, Vincent

Abstract

We present a study of electron—molecular-ion collisions. The scattering equations are solved using an iterative approach to the Schwinger variational principle. These equations are formulated using the Coulomb Green's function to properly treat the long-range Coulomb tail of the molecular-ion potential. We apply this approach to electron—hydrogen-molecular-ion collisions in the static-exchange approximation. We obtain elastic differential cross sections, and also use the continuum states from these calculations to compute the photoionization cross section of the hydrogen molecule. The iterative method used here converged rapidly in all calculations performed.

Additional Information

©1981 The American Physical Society Received 27 May 1980 This work was supported by the National Science Foundation under Grant No. CHE79-15807 and was supported in part by the National Resource for Computation in Chemistry under a grant from the National Science Foundation and the Basic Energy Sciences Division of the United States Department of Energy under Contract No. W-7405-ENG-48. We would like to thank Dr. Derek Robb for many helpful discussions and for providing us with results prior to publication. One of us (R.R.L.) acknowledges the support of a National Science Foundation Predoctoral Fellowship. The research reported in this paper made use of the Dreyfus-NSF Theoretical Chemistry computer which was funded through grants from the Camille and Henry Dreyfus Foundation, the National Science Foundation grant No. CHE78-20235, and the Sloan Fund of the California Institute of Technology.

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