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Figure 2
(a) Experimental Laplacian distribution L(r) ≃ ∇2ρ(r) in the Ti(1)—O(1)—O(2) plane; (b) theoretical Laplacian distribution L(r) ≃ ∇2ρ(r) in the Ti(1)—O(1)—O(2) plane; (c) theoretical Laplacian of the free O22− anion. Contours are drawn at −1.0 × 10−3, ±2.0 × 10n, ±4.0 × 10n, ±8.0 × 10n (n = −3, −2 −1, 0, +1, +2 +3) e Å−5, with positive contours drawn with a solid blue line and negative contours with a dashed red line.

IUCrJ
Volume 8| Part 2| March 2021| Pages 295-304
ISSN: 2052-2525
https://doi.org/10.1107/S205225252100004X