Phonon modulated hopping polarons: x-representation technique

We report a breakthrough development allowing one to solve a broad class of polaron problems with highly nonlinear electron-phonon coupling that were considered unsolvable without uncontrolled simplifications in the past using a Monte Carlo technique formulated in the coordinate representation for both the particle and the atomic displacements. The only condition is the sign positivity of the hopping amplitude. The technique dramatically simplifies (with the corresponding efficiency gains) for models with dispersionless phonons. Our study sheds important light on the nature and universality of the most striking qualitative and quantitative effects demonstrated by the ???standard??? (Peierls/Su-Schrieffer-Heeger) model based on the linearized displacementmodulated hopping.

Automated summary

We report a breakthrough development in solving a broad class of polaron problems with highly nonlinear electron-phonon coupling using a Monte Carlo technique in the coordinate representation. This technique simplifies the models with dispersionless phonons and sheds light on the qualitative and quantitative effects of the "standard" linear displacement-modulated hopping model.