Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods
Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods
We benchmark a set of quantum-chemistry methods, including multitrajectory Ehrenfest, fewest-switches surface-hopping, and multiconfigurational-Ehrenfest dynamics, against exact quantum-many-body techniques by studying real-time dynamics in the Holstein model. This is a paradigmatic model in condensed matter theory incorporating a local coupling of electrons to Einstein phonons. For the two-site and three-site …