The hole/electron transfer integrals for PCT-PCT, with directly linked PCT units, were computed as 4/93 meV, indicating some potential of the LUMO to delocalize across the two molecules but also showing that the two units are already mostly decoupled. Including one or two thiophene spacers to produce PCT-T-PCT and PCT-2T-PCT yielded hole/electron transfer integrals of 34/35 and 29/14 meV, respectively. This highlights that electron transfer integrals are lowered, whereas the hole transfer integrals are slightly going up, possibly due to the electron-rich nature of the thiophene spacer. We should note that the precise value of the transfer integrals is expected to vary with different conformers.