2006/02/09 by J. Mitroy, M. W. J. Bromley
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Muon and positron interactions and applications #physics.atom-ph
paper · pdf · doi:10.1103/physreva.73.052712
published as Phys.Rev.A 73 052712 (2006) · 23 pages preprint RevTeX, 11 figures, submitted to PRA
arxiv created 2006/02/09 · openalex publication_date 2006/05/23 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
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+\text\ensuremath-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 \ensuremathΔXJ=a(J+(1)/(2))^\ensuremath-n+b(J+(1)/(2))^\ensuremath-(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.