Molecular dynamics simulation of an exciton in polyaniline

Adding a weak electron correlation to the extended Ginder–Epstein model for polyaniline, we carried out an adiabatic dynamics simulation for formation of an exciton in a pernigraniline-base polymer, an oxidized form of polyaniline. The results showed: the formation time was ∼50 fs; the correlation speeded up the exciton formation and shortened the exciton radius.