eV and the magnitude of the open singlet gap. This is also supported by the TDDFT results in Fig. showing the spectrum of the edge-modified closed singlet in which the peak of 1.9 eV is totally absent, whereas the peak of the "bulk" gap ΔEac is present and identical to the 3.2 eV peak of the normal (7,12) AGNR. The position of the ΔEac peak, contrary to ΔEzz, changes (decreases) as the length increases. Thus, for the 3x14 (7,28) AGNR we found a ΔEac value of 2.8 eV, as is shown in Fig. ). This value of 2.8 eV, as could be expected, is in perfect agreement with the calculated GW value and the experimental measurements for the (7, 24-28) AGNR(s) on insulating NaCl substrate. 3.3 9-AGNRs. We can observe in Fig. ) that the overall spectrum of the 4x6 AGNR which has the same length with the 3x6 AGNR, except for a suppression of the Δεζζ peak, looks at a first sight very much alike the one for the 3x6 AGNR. Clearly a (deep) "bulk" gap could be expected not to vary very much or be so sensitive to the exact AGNR's width; but for the peak around 2.0 eV, which up to now was associated with the ΔEzz gap of the 3x-AGNRs, further investigation is needed, which is described in Fig. This is verified in Fig. , which shows that the 2.1 eV "bulk" peak (together with the "deeper" 3.2