Analogous topological models of magnetic-field induced current densities are
shown in Figs. 7.37, 7.38, and 7.39 for the CO 2 molecule [121] and in Figs. 7.40,
7.41, 7.42, and 7.43 for the CH–CH molecule [103].
Fig. 7.37 The current density field for CO 2 in a field perpendicular to a plane containing the
nuclei, with j Bj ¼ 1 au. Cross-sections of the flow in the basin of an oxygen atom, showing the
TV, and about the central carbon nucleus—insets with blue and red frame, respectively—are
magnified in the bottom. The maximum intensity of the J
B field is 3.55 au, truncated to 0.30 in the
top-right contour map, which start at 0.03 au and are 0.03 apart
212
P. Lazzeretti
shown in Figs. 7.37, 7.38, and 7.39 for the CO 2 molecule [121] and in Figs. 7.40,
7.41, 7.42, and 7.43 for the CH–CH molecule [103].
Fig. 7.37 The current density field for CO 2 in a field perpendicular to a plane containing the
nuclei, with j Bj ¼ 1 au. Cross-sections of the flow in the basin of an oxygen atom, showing the
TV, and about the central carbon nucleus—insets with blue and red frame, respectively—are
magnified in the bottom. The maximum intensity of the J
B field is 3.55 au, truncated to 0.30 in the
top-right contour map, which start at 0.03 au and are 0.03 apart
212
P. Lazzeretti