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. 2010 Nov 11;6(12):3704–3712. doi: 10.1021/ct100529s

Figure 6.

Figure 6

Contour plots of momentum density matrices (P) for the Lb excited state computed at the B3LYP and LC-BLYP levels of theory. The x- and y-axis labels represent the number of benzene repeat units in the molecule. The elements of the momentum matrix, Pmn, represent the probability amplitude of an electron−hole pair oscillation between sites m (x axis) and n (y axis). The color scale is given at the bottom.