Predicted polymer energy values were calculated by plotting the orbital energies of the oligomers as a function of the inverse of their chain length. A linear OLS best fit line was generated for each of these plots and extrapolated to the y-axis (n = ∞) to HOMO " is defined as the difference in monomer HOMO energies. "Δ LUMO " is defined as the difference in monomer LUMO energies. The "dimer HOMO shift" is defined as the higher monomer HOMO energy subtracted from the dimer HOMO energy. The "dimer LUMO shift" is defined as the dimer LUMO energy subtracted from the lower monomer LUMO energy. Note that the dimer HOMO or LUMO shift can be positive or negative depending on the orbital mixing motif. "Δ HOMO " and "Δ LUMO " are always positive.