Convergence of configuration-interaction single-center calculations of positron-atom interactions

J. Mitroy and M. W. J. Bromley
Phys. Rev. A 73, 052712 – Published 23 May 2006

Abstract

The configuration interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of binding energy, phase shift, and annihilation rate with respect to the maximum angular momentum of the orbital basis for the e+Cu and PsH bound states, and the e+H scattering system were completed. The annihilation rates converge very slowly with angular momentum, and moreover the convergence with radial basis dimension appears to be slower for high angular momentum. A number of methods of completing the partial wave sum are compared; an approach based on a ΔXJ=a(J+12)n+b(J+12)(n+1) form [with n=4 for phase shift (or energy) and n=2 for the annihilation rate] seems to be preferred on considerations of utility and underlying physical justification.

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  • Received 21 January 2006

DOI:https://doi.org/10.1103/PhysRevA.73.052712

©2006 American Physical Society

Authors & Affiliations

J. Mitroy*

  • Faculty of Technology, Charles Darwin University, Darwin NT 0909, Australia

M. W. J. Bromley

  • Department of Physics, San Diego State University, San Diego CA 92182, USA

  • *Electronic address: jxm107@rsphysse.anu.edu.au
  • Electronic address: mbromley@physics.sdsu.edu

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Vol. 73, Iss. 5 — May 2006

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