Configuration-interaction calculation of the Cue+ ground state

J. Mitroy; G. Ryzhikh

doi:10.1088/0953-4075/32/12/303

Configuration-interaction calculation of the Cue⁺ ground state

J. Mitroy^*, G. Ryzhikh

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

40 Citations (Scopus)

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 2γ 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.

Original language	English
Pages (from-to)	2831-2839
Number of pages	9
Journal	Journal of Physics B: Atomic, Molecular and Optical Physics
Volume	32
Issue number	12
DOIs	https://doi.org/10.1088/0953-4075/32/12/303
Publication status	Published - 28 Jun 1999

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AU - Ryzhikh, G.

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N2 - 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 2γ 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.

AB - 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 2γ 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.

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JO - Journal of Physics B: Atomic, Molecular and Optical Physics

JF - Journal of Physics B: Atomic, Molecular and Optical Physics

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Configuration-interaction calculation of the Cue⁺ ground state

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