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Configuration-interaction calculations of PsH and e+Be

Bromley, Michael W. J. and Mitroy, Jim (2002). Configuration-interaction calculations of PsH and e+Be. Physical Review A (Atomic, Molecular and Optical Physics),65(1):012505-1-012505-9.

Document type: Journal Article
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Title Configuration-interaction calculations of PsH and e+Be
Author Bromley, Michael W. J.
Mitroy, Jim
Journal Name Physical Review A (Atomic, Molecular and Optical Physics)
Publication Date 2002
Volume Number 65
Issue Number 1
ISSN 1094-1622   (check CDU catalogue open catalogue search in new window)
Start Page 012505-1
End Page 012505-9
Total Pages 9
Place of Publication College Park, United States
Publisher American Physical Society
Field of Research 0202 - Atomic, Molecular, Nuclear, Particle and Plasma Physics
0204 - Condensed Matter Physics
0205 - Optical Physics
HERDC Category C1 - Journal Article (DEST)
Abstract The configuration-interaction (CI) method is applied to the study of the positronium-hydride (PsH) and positronic-beryllium (e+Be) systems. The binding energy and other properties are slowly convergent with respect to the angular momentum of the orbitals used to construct the CI basis states. The largest calculations recover 94% and 80% of the binding energy against dissociation when compared with existing calculations of PsH and e+ Be. Extrapolating using Cl convergence trends improves these results to 99% and 98%, respectively. Convergence is not so good for the electron-positron annihilation rates, but the extrapolated annihilation rates were within 10% of the best calculations. Two different schemes have been used to construct the CI basis, and it is found that it is possible to discard roughly half the CI basis with almost no degradation in the binding energy and the annihilation rate. These investigations demonstrate the feasibility of using single particle orbitals centred on the nucleus to represent positronic systems with two valence electrons.
Keywords atoms
positron binding
quantum monte-carlo
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Additional Notes Copyright by the The American Physical Society

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