For the (PPV) n excitation energies, TD-LRC-ω IE PBE and TD-LRC-ω GDD PBE results gradually diverge as a function of n, reaching a difference of 0.4 eV for n = 7, by which point both calculations have reached an asymp-totic value of the S 1 excitation energy. Similar behavior is observed for the push-pull systems [O 2 N(Ph) n NH 2 ], although in that case the large-n values of the S 1 excitation energy differ by only 0.1 eV. Similar to (PPV) n , however, we observe that ω IE reaches an asymptotic value rather quickly (by n = 3), whereas ω GDD continues to decrease even at n = 8 (Fig. ). Nevertheless, S 1 excitation energies have reached their asymptotic values by n = 3 in both cases (Fig. ).