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Comment on "Multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)]

Mitroy, Jim and Bromley, Michael W. J. (2005). Comment on "Multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)]. Journal of Chemical Physics,123(1):017101-1-017101-2.

Document type: Journal Article
Citation counts: Scopus Citation Count Cited 2 times in Scopus Article | Citations

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Title Comment on "Multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)]
Author Mitroy, Jim
Bromley, Michael W. J.
Journal Name Journal of Chemical Physics
Publication Date 2005
Volume Number 123
Issue Number 1
ISSN 1089-7690   (check CDU catalogue open catalogue search in new window)
Scopus ID 2-s2.0-22844441960
Start Page 017101-1
End Page 017101-2
Total Pages 2
Place of Publication United States
Publisher American Institute of Physics
Field of Research 0202 - Atomic, Molecular, Nuclear, Particle and Plasma Physics
0306 - Physical Chemistry (incl. Structural)
0904 - Chemical Engineering
HERDC Category C1 - Journal Article (DEST)
Abstract Large-scale configuration–interaction calculations of the binding energies and annihilation rates of the positronium halides, PsF, PsCl, PsBr, and PsI [S. L. Saito, J. Chem. Phys. 122 054302 (2005)], have made erroneous predictions about the structures of these atoms. The predictions were based on small annihilation rates, which result from using a small basis and additionally invalid estimates of the contributions from single-particle orbitals with >8.
DOI http://dx.doi.org/10.1063/1.1950527   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
Additional Notes Copyright by the American Institute of Physics


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