Coherent-state ansatz for the Holstein polaron in one and two dimensions

TL;DR

This paper introduces a semi-analytical variational approach using coherent states to accurately describe Holstein polarons in one and two dimensions, especially in challenging regimes of strong coupling and low phonon frequency.

Contribution

The authors develop a coherent-state variational ansatz for the Holstein polaron that improves understanding and calculation of polaron properties across different coupling regimes.

Findings

Accurately predicts ground-state energy and effective mass.

Works well at both strong and weak coupling regimes.

Provides an intuitive picture of the polaron wavefunction.

Abstract

The Holstein model often serves as an archetype for electron-phonon interactions and polaron formation in solids. However, precise descriptions of the Holstein polaron are difficult when the phonon frequency is small and the electron-phonon coupling is strong, due to the presence of many phonons in the ground state. We present a semi-analytical approximation that consists of a variational ansatz with clouds of phonons surrounding the electron in the form of coherent states. This becomes particularly simple and exact in the Lang-Firsov limit. We determine the domain of validity away from this limit, and further explore the improvement achieved with a removal of the requirement that the phonon clouds form coherent states. Both approximations work extremely well at strong coupling, and both work surprisingly well also at weak coupling. The coherent-state ansatz provides a simple and intuitive picture of the polaron ground-state wavefunction, and in addition predicts accurate values for the ground-state energy and effective mass.