Fig. 4: Convergence behaviour with respect to the number of data points.
From: Super-resolution techniques to simulate electronic spectra of large molecular systems
We use Cd38Se38-ZnPc-32(NH2CH3) (left), Cd38Se38-ZnPc-DPA-32(NH2CH3) (middle) and Cd33Se33/Zn93S93-2(ZnPc) (right) as a prototypical examples. We show the result for the absorption spectrum by varying the length of the short-time dynamics dipole signals between 500 and 5000 time steps. The reference RT-TDDFT absorption spectrum was simulated with in total 20,000 time steps. For details regarding the input frequencies, the reader is referred to Supplementary Tables 2–5. Intensity was abbreviated with Int.
