Calculating the λ of long oligomer chains using traditional DFT methods can be timeconsuming and computationally expensive. However, previous studies have claimed that six-membered oligomer chains can closely estimate the λ of longer chains . However, quantum mechanical calculations, especially when optimizing molecular geometries, drastically increase with the length of the oligomer (Figure ). We therefore have explored different ways to minimize the calculation time, such as using an approximate method, GFN2, and using shorter oligomers.