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Figure 2
Plots of radial electron density from the def2 wavefunction ρECP(r) (blue), valence electron density from the relativistic Jorge wavefunction ρval(r) (orange), the difference between these densities (green, dotted) and the fitted correction function of the difference (red, dashed) for the elements (a) Rb, (b) I, (c) Au and (d) Hg on a double logarithmic scale shifted up by an absolute value of 5 to allow logarithmic plotting. Insets contain the absolute difference between the correction function and the density difference to be fitted (blue, dashed).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 2| April 2025| Pages 374-382
https://doi.org/10.1107/S1600576725000901
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