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

Figure 5.

Figure 5

Contour plots of coordinate density matrices (Q) for the La and Lb excited states computed at the LC-BLYP level of theory. The x- and y-axis labels represent the number of benzene repeat units in the molecule. The elements of the coordinate matrix, Qmn, give a measure of exciton delocalization between sites m (x axis) and n (y axis). The color scale is given at the bottom.