Ab initio study of low-energy electron-methane scattering

B. H. Lengsfield, III, T. N. Rescigno, and C. W. McCurdy
Phys. Rev. A 44, 4296 – Published 1 October 1991
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Abstract

The complex Kohn method is used to study electron-methane scattering with polarized trial functions at incident energies ranging from 0.2 to 10 eV. A perturbative method, which only requires the construction of Fock operators, is used to generate a set of polarized virtual orbitals. These polarized orbitals are then used to construct a compact ab initio scattering function that produces cross sections that are in excellent agreement with experiments in the region of the Ramsauer-Townsend minimum and at higher energies, where a broad maximum is present in the integral cross section. This is the first ab initio study to accurately characterize low-energy electron-methane scattering.

  • Received 15 November 1990

DOI:https://doi.org/10.1103/PhysRevA.44.4296

©1991 American Physical Society

Authors & Affiliations

B. H. Lengsfield, III and T. N. Rescigno

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

C. W. McCurdy

  • Department of Chemistry, Ohio State University, Columbus, Ohio 43210

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Vol. 44, Iss. 7 — October 1991

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