L2 discretization and complex coordinates in the calculation of bound-free amplitudes in the presence of long-range forces

Bruce R. Johnson and William P. Reinhardt
Phys. Rev. A 28, 1930 – Published 1 October 1983
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Abstract

The formalism of Møller wave operators is shown to provide a stable basis for computation of bound-free transition amplitudes for both short- and long-range potentials without the direct calculation of scattering wave functions. This method, which relies on the techniques of expansion in finite L2 bases and rotation of the coordinates into the complex plane, is applied to both an exponential potential and one that behaves asymptotically as 1r4. It is demonstrated that one obtains not only accurate magnitudes of the matrix elements, but accurate phases (i.e., the scattering phase shift) as well. Some relevant theoretical results with regard to the application of wave operators are also presented. Although couched in terms of potential scattering, the procedures are readily extendible to multichannel problems.

  • Received 4 May 1983

DOI:https://doi.org/10.1103/PhysRevA.28.1930

©1983 American Physical Society

Authors & Affiliations

Bruce R. Johnson

  • Department of Chemistry, University of Colorado, Boulder, Colorado 80309 and Joint Institute for Laboratory Astrophysics, University of Colorado and National Bureau of Standards, Boulder, Colorado 80309

William P. Reinhardt*

  • Molecular Spectroscopy Group, National Bureau of Standards, Washington, D.C. 20234

  • *Permanent address: Department of Chemistry, University of Colorado, Boulder, CO 80309 and Joint Institute for Laboratory Astrophysics, University of Colorado and National Bureau of Standards, Boulder, CO 80309.

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Vol. 28, Iss. 4 — October 1983

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