QUANTUM MOLECULAR-DYNAMICS STUDY OF THE SU-SCHRIEFFER-HEEGER MODEL

A quantum molecular dynamics technique is pre sented to compute the st atic and dynamic properties of a system of fermions coupled to classic al degrees of freedom. The method is employed to investigate the prope rties of the Su-Schrieffer-Heeger model, an electron-phonon model whic h is often used to describe the electronic properties of conjugated po lymers. The Su-Schrieffer-Heeger model is shown to exhibit a metal-ins ulator transition away from half-filling. In the metallic phase the el ectron transport is collective and shows the features characteristic o f Frohlich conductivity. Our simulation data for the optical absorptio n at room-temperature are in good agreement with experiment.