dorsal/arxiv
View SchemaConvergence of CI single center calculations of positron-atom interactions
| Authors | J. Mitroy, M. W. J. Bromley |
|---|---|
| Categories | |
| ArXiv ID | physics/0602058 |
| URL | https://arxiv.org/abs/physics/0602058 |
| DOI | 10.1103/PhysRevA.73.052712 |
| Journal | Phys.Rev.A 73 052712 (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 Delta X_J = a/(J + 1/2)^n + b/(J + 1/2)^(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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"abstract": "The Configuration Interaction (CI) method using orbitals centered on the\nnucleus has recently been applied to calculate the interactions of positrons\ninteracting with atoms. Computational investigations of the convergence\nproperties of binding energy, phase shift and annihilation rate with respect to\nthe maximum angular momentum of the orbital basis for the e^+Cu and PsH bound\nstates, and the e^+-H scattering system were completed. The annihilation rates\nconverge very slowly with angular momentum, and moreover the convergence with\nradial basis dimension appears to be slower for high angular momentum. A number\nof methods of completing the partial wave sum are compared, an approach based\non a Delta X_J = a/(J + 1/2)^n + b/(J + 1/2)^(n+1) form (with n = 4 for phase\nshift (or energy) and n = 2 for the annihilation rate) seems to be preferred on\nconsiderations of utility and underlying physical justification.",
"arxiv_id": "physics/0602058",
"authors": [
"J. Mitroy",
"M. W. J. Bromley"
],
"categories": [
"physics.atom-ph"
],
"doi": "10.1103/PhysRevA.73.052712",
"journal_ref": "Phys.Rev.A 73 052712 (2006)",
"title": "Convergence of CI single center calculations of positron-atom interactions",
"url": "https://arxiv.org/abs/physics/0602058"
},
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