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Figure 3
Krypton: (A) absolute discrepancies between the XRW and CCSD/u6-311G* structure-factor amplitudes for different [{\lambda _{\rm J}}] values, (B) orbital-averaged XRW xc potentials extracted for [{\lambda _{\rm J}}] = 0.0 (Slater potential) and [{\lambda _{\rm J}}] = 19.0, and (C) orbital-averaged XRW perturbation potentials obtained at different [{\lambda _{\rm J}}] values.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1106-1121
https://doi.org/10.1107/S1600576725004765
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