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• W2085311510 abstract "The electron-pair radial density D2(r1, r2) is the probability density of any two electrons that are located at radii r1 and r2, respectively. The electron-pair radial coalescence density D2(r, r) is the diagonal element function of D2(r1, r2) and represents the probability density of two electrons being on the same sphere with a radius r. Theoretical analysis of atomic coalescence densities shows that the Hartree–Fock (HF) radial coalescence density D2(r, r) is rigorously bounded by functions immediately obtained from the familiar single-electron radial density D(r). The results also imply inequality relations between the electron-pair radial difference density at the origin and the average single-electron radial density value. Numerical results are given for the 53 atoms He through Xe. It is also examined how the inclusion of the electron correlation modifies the HF relations." @default.
• W2085311510 created "2016-06-24" @default.
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• W2085311510 date "2011-09-01" @default.
• W2085311510 modified "2023-10-14" @default.
• W2085311510 title "On the electron-pair radial coalescence density of atoms" @default.
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• W2085311510 doi "https://doi.org/10.1088/0953-4075/44/19/195003" @default.
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