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Configuration-interaction calculation of the Cue+ ground state

Mitroy, J and Ryzhikh, G (1999). Configuration-interaction calculation of the Cue+ ground state. Journal of Physics B: Atomic Molecular and Optical Physics,32(12):2831-2839.

Document type: Journal Article
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Title Configuration-interaction calculation of the Cue+ ground state
Author Mitroy, J
Ryzhikh, G
Journal Name Journal of Physics B: Atomic Molecular and Optical Physics
Publication Date 1999
Volume Number 32
Issue Number 12
ISSN 0953 4075   (check CDU catalogue open catalogue search in new window)
Start Page 2831
End Page 2839
Total Pages 9
Place of Publication Bristol, UK
Publisher Institute of Physics Publishing
HERDC Category C1 - Journal Article (DEST)
Abstract A configuration-interaction (CI) calculation has confirmed an earlier prediction of positron binding to neutral copper. The single-centre CI expansion gave a binding energy of 0.003 69 Hartree and a 2 annihilation rate of 0.246 ? 109 s-1. The energy and annihilation rate are different from a previous calculation using the fixed-core stochastic variational method (FCSVM) due to the slow convergence of the CI calculation with respect to the number of spherical harmonics included in the CI expansion. An extrapolation of the CI calculation to the infinite spherical harmonic limit improves the quality of agreement with the earlier FCSVM calculation. The present calculation highlights the importance of an explicit treatment of the strong electron-positron correlations which are present when positrons interact with atoms.
DOI http://dx.doi.org/10.1088/0953-4075/32/12/303   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
 
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Created: Fri, 12 Sep 2008, 08:35:25 CST by Administrator