Comments on the analysis of atomic correlation energies

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Abstract

Analysis of correlation energies is advocated in terms of average values of electronic kinetic energy, electron-nuclear attraction energy, and electron-electron repulsion energy, rather than pair energies. Exploratory calculations on the two-electron and three-electron isoelectronic sequences are reported.

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Gruninger, J., Öhrn, Y., & Löwdin, P. O. (1970). Comments on the analysis of atomic correlation energies. The Journal of Chemical Physics, 52(11), 5551–5554. https://doi.org/10.1063/1.1672824

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