Figure depicts the principal NTO pairs for three low-energy excitations bent (PPV) 8 . Each transition requires more than one pair of NTOs to reach at least 80% of the norm of the transition density, i.e., so that λ 2 1 +λ 2 2 +• • • ≥ 0.8. For example, in the S 1 state the princi-pal NTO pair captures only 61% of the transition density while for S 5 , four NTO pairs are required to reach 80%. In the latter case, one can identify two effective chromophores within the (PPV) 8 molecule, on the left side and in the middle segment, whose localized excitations each require a pair of NTOs to describe and which are electronically coupled. Although this state is optically dark, the S 1 state has a large oscillator strength (see Table ) so the need for multiple NTO pairs affects bright and dark states alike. Metrics for a few excited states are presented in Table 3. (Additional metrics can be found in Table .) Both d e-h and d CD1 are rather small (≤ 0.5 Å) for each of the ten excited states in the table, whereas ∆r and Γ span a wider range of values. It is no longer clear that (∆r) NTO is a good approximation to d e-h , nor is Γ NTO a good approximation to d CD1 . This is especially evident for the S 0 → S 6 transition, which has a much larger RMS exciton size (d exc = 10.1 Å) as compared to the other excited states (where d exc = 4.2-5.5 Å), which is challenging to to rationalize based on the NTOs but is also reflected in a larger value Γ NTO = 6.45 Å for this state, whereas Γ NTO < 1.7 Å for all other states up to S 10 (see Table ). However, this larger value of Γ NTO is partly driven by a larger value of (∆r) NTO = 3.65 Å, which is not reflected in d e-h = 0.1 Å. The latter is consistent with an exciton in which both the electron and the hole are delocalized over eight of the nine PPV units so there is little net change in the center of charge. Values of (∆r) CMO do not correlate at all with d e-h , nor does Γ CMO correlate with d CD1 .