Quasiparticle dynamics by effective π-field distortion

Abstract

Modeling dynamical processes of quasiparticles in low dimensional $\pi$-conjugated systems is challenging due to electron-phonon coupling. We show that this interaction leads to linear potential energy terms in the lattice Lagrangian similar to a local “gravitational” field. The presence of quasiparticles deforms this field in a way analogous to a low-dimension solution of general relativity. Our calculations with analytical expressions for effective $\pi$-fields yield the correct band structure and deliver proper time evolution of the quasiparticle’s properties. Furthermore, we report a sharp reduction in the dynamics computational time up to two orders of magnitude, a result that has major simulation implications.