R-matrix theory for electron-molecule collisions using analytic basis set expansions. II. Electron-H2 scattering in the static-exchange model

Barry I. Schneider
Phys. Rev. A 11, 1957 – Published 1 June 1975
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Abstract

The R-matrix formalism developed by the author to treat scattering from nonspherically symmetric potentials is applied to the scattering of electrons from H2 in the static exchange approximation. Calculations were performed for Σg, Σu, Πg, and Πu symmetries and phase shifts extracted for s, p, and d partial waves. The inclusion of p orbitals on each center was found to be essential in representing d-wave contributions to the phase shift and to have a non-negligible effect on p-wave scattering. The results are in good agreement with other calculations based on the static-exchange model using entirely different numerical techniques. We conclude by discussing the outlook for the method and how it may be extended to treat polarization, correlation, and inelastic processes.

  • Received 18 February 1975

DOI:https://doi.org/10.1103/PhysRevA.11.1957

©1975 American Physical Society

Authors & Affiliations

Barry I. Schneider

  • Los Alamos Scientific Laboratory, Theoretical Division, P. O. Box 1663, Los Alamos, New Mexico 87544

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Vol. 11, Iss. 6 — June 1975

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