Figure 9
Contraction of the innermost electron density in diamond revealed by residual plots based on multipolar modeling using (a) a frozen and (b) a flexible core description. Positive (red), negative (blue) and zero (dotted black) contour lines are drawn with a step width of 0.01 e Å−3. The solid black line represents the C—C bonding chain (Bindzus et al., 2014). |