The positions of the BCPs are almost equal whatever the spin: ρ(CP) and ∇ 2 ρ(CP) are slightly higher for spin up electrons, which is both due to a more contracted spin up density and a higher number of spin up electrons (0.74 e more); however, considering the uncertainty on these values (around 10% for the Laplacian) the differences may not be significant.
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First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments.
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