Ab initio description of polarization in low-energy electron collisions with polar molecules: Application to electron-NH3 scattering

T. N. Rescigno, B. H. Lengsfield, C. W. McCurdy, and S. D. Parker
Phys. Rev. A 45, 7800 – Published 1 June 1992
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Abstract

We report the results of a theoretical study of low-energy electron-NH3 scattering in which target polarization effects are included by using an ab initio optical potential. The calculations employ the complex Kohn variational technique and are undertaken at both the static-exchange and polarized-self-consistent-field levels. Particular attention is paid to the complications attending electron scattering from target molecules that possess a permanent dipole moment. We describe the steps necessary to extract meaningful differential cross sections from fixed-nuclei calculations that ignore the rotational motion of the target. Good agreement is found between our results and recent experimental measurements.

  • Received 3 January 1992

DOI:https://doi.org/10.1103/PhysRevA.45.7800

©1992 American Physical Society

Authors & Affiliations

T. N. Rescigno and B. H. Lengsfield

  • Physics Department, Lawrence Livermore National Laboratory, Livermore, California 94550

C. W. McCurdy

  • National Energy Research Supercomputer Center, Lawrence Livermore National Laboratory, Livermore, California 94550

S. D. Parker

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

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Vol. 45, Iss. 11 — June 1992

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