Adapted Su-Schrieffer-Heeger Hamiltonian for PPV, PPP, and polyacenes

This work presents a unified model Hamiltonian for poly-$\it{p}$-phenylenevinylene (PPV), poly-$\it{p}$-phenylene (PPP), and polyacenes based on the classical Su- Schrieffer-Heeger Hamiltonian for polyacetylene, with one single extra electron- phonon coupling parameter. Predicted band gaps of all these polymers and their oligomers of all lengths closely match to the available experimental results, with an accuracy exceeding the time-dependent density functional theory. Self-localized polaron states and their mobility are computed without any constraints.