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Figure 3
Plots of spherical scattering factor from the def2 wavefunction ρECP(r) (blue) and from the valence orbitals of the relativistic Jorge wavefunction ρval(r) (orange), the difference between these scattering factors (green, dotted), and the fitted correction scattering factors obtained by the fitted density (red, dashed) for the elements (a) Rb, (b) I, (c) Au and (d) Hg. Insets contain the difference between the correction function scattering factors and those derived by the valence atoms 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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