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Figure 3
Pauli potential (PP) and components for second-row dimers. The first column depicts the molecular PP evaluated from Kohn–Sham orbitals (Finzel, 2021BB13) whereas the second column depicts the orbital-free approximation [v_{\rm P}^{\Omega {\rm def}}] together with its components [v_{\rm P}^{\Omega}] (Finzel, 2021BB13) and [v_{\rm P}^{\rm def}] shown in columns three and four, respectively. First row: Ne2 color scale from 0.0 (blue) to 41.0 (white). Second row: F2 color scale from 0.0 (blue) to 36.0 (white). Third row: O2 color scale from 0.0 (blue) to 26.0 (white). Fourth row: N2 color scale from 0.0 (blue) to 18.5 (white). Fifth row: C2 color scale from 0.0 (blue) to 14.3 (white). Sixth row: B2 color scale from 0.0 (blue) to 8.9 (white). Seventh row: Be2 color scale from 0.0 (blue) to 5.2 (white). Eighth row: Li2 color scale from 0.0 (blue) to 2.4 (white). Orthoslices are shown within the range of 5×8 bohr for all dimers.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 77| Part 4| August 2021| Pages 458-466
https://doi.org/10.1107/S2052520621004686
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