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Electron - electron coalescence and counterbalance densities of atoms in position and momentum spaces

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Published under licence by IOP Publishing Ltd
, , Citation Toshikatsu Koga and Hisashi Matsuyama 1997 J. Phys. B: At. Mol. Opt. Phys. 30 5631 DOI 10.1088/0953-4075/30/24/005

0953-4075/30/24/5631

Abstract

The electron - electron coalescence h(0) and counterbalance d(0) densities are probability densities of finding any two electrons, respectively, at the same position and at the reflection points in the three-dimensional position space. The momentum-space counterparts and represent the probability densities for any pair of electrons to have exactly the same and opposite momenta, respectively. These electron-pair densities, as well as the average position and momentum one-electron densities, are computed systematically for the atoms He through Xe in their ground state by using the numerical Hartree - Fock method. The results are discussed in terms of the atomic number, electronic configuration and subshell-pair contributions with our particular interest in the electron - electron coalescence densities h(0) and .

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10.1088/0953-4075/30/24/005