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Configuration-interaction calculations of positron binding to group-II elements

Bromley, Michael W. J. and Mitroy, Jim (2002). Configuration-interaction calculations of positron binding to group-II elements. Physical Review A (Atomic, Molecular and Optical Physics),65(6):062505-1-062505-10.

Document type: Journal Article
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Title Configuration-interaction calculations of positron binding to group-II elements
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 6
ISSN 1094-1622   (check CDU catalogue open catalogue search in new window)
Start Page 062505-1
End Page 062505-10
Total Pages 10
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 positronic magnesium (e+Mg), positronic calcium (e+Ca), and positronic strontium (e+Sr). The CI expansion was seen to converge slowly with respect to Lmax, the maximum angular momentum of any orbital used to construct the CI basis. Despite doing explicit calculations with Lmax=10, extrapolation corrections to the binding energies for the Lmax→∞ limit were substantial in the case of e+Ca (25%) and e+Sr (50%). The extrapolated binding energies were 0.0162 hartree for e+Mg, 0.0165 hartree for e+Ca, and 0.0101 hartree for e+Sr. The static-dipole polarizabilities for the neutral parent atoms were computed as a by-product, giving 71.7a03, 162a03, and 204a03 for Mg, Ca, and Sr, respectively.
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Additional Notes Copyright by the The American Physical Society

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