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Figure 1
Density features in the (110) plane of diamond. (a) Residual density for the HC model, (b) residual density for the EHC model, (c) static model deformation density for the EHC model, and (d) negative Laplacian of the electron density for the EHC model. Positive, negative and zero contours are drawn in solid blue, dashed red and dotted black, respectively. Contour levels are drawn at 0.01 e Å−3 for (a) and (b), 0.05 e Å−3 (c), and at 0, [ \pm 1 \times {10^n}], [ \pm 2 \times {10^n}], [ \pm 4 \times {10^n}], [\pm 8\times {10}^{n}] e Å−5 , with [n = 0, \pm 1, \pm 2, \pm 3] (d).

ISSN: 2053-2733
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