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The carrier-density dependence of the photoemission spectrum of the Holstein many-polaron model is studied using cluster perturbation theory combined with an improved cluster diagonalization by Chebychev expansion.
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Exciton-polaron formation in one-dimensional lattice models with short or long-range carrier-phonon interaction is studied by quantum Monte Carlo simulations. Depending on the relative sign of electron and hole-phonon coupling, the exciton-polaron size increases or decreases with increasing interaction strength. Quantum phonon fluctuations determine the (exciton-)polaron size and yield translation-invariant states at all finite couplings.
Exact results for the density of states and the ac conductivity of the spinless Holstein model at finite carrier density are obtained combining Lanczos and kernel polynomial methods.
The cross over from low to high carrier densities in a many-polaron system is studied in the framework of the one-dimensional spinless Holstein model, using unbiased numerical methods. Combining a novel quantum Monte Carlo approach and exact diagonalization, accurate results for the single-particle spectrum and the electronic kinetic energy on fairly large systems are obtained. A detailed investigation of the quality of the Monte Carlo data is presented. In the physically most important adiabatic intermediate electron-phonon coupling regime, for which no analytical results are available, we observe a dissociation of polarons with increasing band filling, leading to normal metallic behavior, while for parameters favoring small polarons, no such density-driven changes occur. The present work points towards the inadequacy of single-polaron theories for a number of polaronic materials such as the manganites.
In the standard framework of self-consistent many-body perturbation theory, the skeleton series for the self-energy is truncated at a finite order $N$ and plugged into the Dyson equation, which is then solved for the propagator $G_N$. For two simple examples of fermionic models -- the Hubbard atom at half filling and its zero space-time dimensional simplified version -- we find that $G_N$ converges when $Ntoinfty$ to a limit $G_infty,$, which coincides with the exact physical propagator $G_{rm exact} ,$ at small enough coupling, while $G_infty eq G_{rm exact} ,$ at strong coupling. We also demonstrate that it is possible to discriminate between these two regimes thanks to a criterion which does not require the knowledge of $G_{rm exact} ,$, as proposed in [Rossi et al., PRB 93, 161102(R) (2016)].
Cluster Perturbation Theory (CPT) is a technique for computing the spectral function of fermionic models with local interactions. By combining the solution of the model on a finite cluster with perturbation theory on intra-cluster hoppings, CPT provides access to single-particle properties with arbitrary momentum resolution while incurring low computational cost. Here, we introduce Determinantal Quantum Monte Carlo (DQMC) as a solver for CPT. Compared to the standard solver, exact diagonalization (ED), the DQMC solver reduces finite size effects through utilizing larger clusters, allows study of temperature dependence, and enables large-scale simulations of a greater set of models. We discuss the implementation of the DQMC solver for CPT and benchmark the CPT+DQMC method for the attractive and repulsive Hubbard models, showcasing its advantages over standard DQMC and CPT+ED simulations.
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