To validate the effectiveness of the simplified oligomer in capturing the electronic properties of CPs in comparison with the monomer, we also calculated the E Besides accuracy improvement, our two-step simplification procedure also significantly reduces computational demands by decreasing the number of atoms in CPs. Figure illustrates the histogram distributions of atom counts for monomer and oligomer structures. Around 80% of the monomers, originally with atom counts ranging from 107 to 232, were reduced to between 78 and 156 atoms. Particularly, the largest monomer, which contains 494 atoms, is reduced to 200 atoms in its oligomer form, while the smallest with 33 atoms increases to 68 in the oligomer. This reduction is primarily achieved through the truncation of long alkyl side chains, while the increase in the number of atoms is due to the extension of the backbone chains. These two modifications synergistically lead to an overall decrease in system size for the majority of CPs.