No Arabic abstract
We consider two large polaron systems that are described by a Fr{o}hlich type of Hamiltonian, namely the Bose-Einstein condensate (BEC) polaron in the continuum and the acoustic polaron in a solid. We present ground-state energies of these two systems calculated with the Diagrammatic Monte Carlo (DiagMC) method and with a Feynman all-coupling approach. The DiagMC method evaluates up to very high order a diagrammatic series for the polaron Greens function. The Feynman all-coupling approach is a variational method that has been used for a wide range of polaronic problems. For the acoustic and BEC polaron both methods provide remarkably similar non-renormalized ground-state energies that are obtained after introducing a finite momentum cutoff. For the renormalized ground-state energies of the BEC polaron, there are relatively large discrepancies between the DiagMC and the Feynman predictions. These differences can be attributed to the renormalization procedure for the contact interaction.
We present the first approximation free diagrammatic Monte Carlo study of a lattice polaron interacting with an acoustic phonon branch through the deformation potential. Weak and strong coupling regimes are separated by a self-trapping region where quantum resonance between various possible lattice deformations is seen in the ground state properties, spectral function, and optical conductivity. The unique feature of such polaron is the interplay between long- and short wavelength acoustic vibrations creating a composite phonon cloud and leading to persistent self-trapping due to the existence of multiple quasi-stable states. This results in a spectral response whose structure is much more complex than in any of the previously considered polaron models.
We present results for the solution of the large polaron Frohlich Hamiltonian in 3-dimensions (3D) and 2-dimensions (2D) obtained via the Diagrammatic Monte Carlo (DMC) method. Our implementation is based on the approach by Mishchenko [A.S. Mishchenko et al., Phys. Rev. B 62, 6317 (2000)]. Polaron ground state energies and effective polaron masses are successfully benchmarked with data obtained using Feynmans path integral formalism. By comparing 3D and 2D data, we verify the analytically exact scaling relations for energies and effective masses from 3D$to$2D, which provides a stringent test for the quality of DMC predictions. The accuracy of our results is further proven by providing values for the exactly known coefficients in weak- and strong coupling expansions. Moreover, we compute polaron dispersion curves which are validated with analytically known lower and upper limits in the small coupling regime and verify the first order expansion results for larger couplings, thus disproving previous critiques on the apparent incompatibility of DMC with analytical results and furnishing useful reference for a wide range of coupling strengths.
Polaron tunneling is a prominent example of a problem characterized by different energy scales, for which the standard quantum Monte Carlo methods face a slowdown problem. We propose a new quantum-tunneling Monte Carlo (QTMC) method which is free from this issue and can be used for a wide range of tunneling phenomena. We apply it to study an impurity interacting with a one-dimensional Bose-Einstein condensate and simultaneously trapped in an external double-well potential. Our scheme works for an arbitrary coupling between the particle and condensate and, at the same time, allows for an account of tunneling effects. We discover two distinct quasi-particle peaks associated, respectively, with the phonon-assisted tunneling and the self-trapping of the impurity, which are in a crossover regime for the system modeled. We observe and analyze changes in the weights and spectral positions of the peaks (or, equally, effective masses of the quasi-particles) when the coupling strength is increased. Possible experimental realizations using cold atoms are discussed.
We present a theoretical study based upon quantum Monte Carlo methods of the Bose polaron in one-dimensional systems with contact interactions. In this instance of the problem of a single impurity immersed in a quantum bath, the medium is a Lieb-Liniger gas of bosons ranging from the weakly interacting to the Tonks-Girardeau regime, whereas the impurity is coupled to the bath via a different contact potential producing both repulsive and attractive interactions. Both the case of a mobile impurity, having the same mass as the particles in the medium, and of a static impurity with infinite mass are considered. We make use of exact numerical techniques that allow us to calculate the ground-state energy of the impurity, its effective mass as well as the contact parameter between the impurity and the bath. These quantities are investigated as a function of the strength of interactions between the impurity and the bath and within the bath. In particular, we find that the effective mass rapidly increases to very large values when the impurity gets strongly coupled to an otherwise weakly repulsive bath. This heavy impurity hardly moves within the medium, thereby realizing the self-localization regime of the Landau-Pekar polaron. Furthermore, we compare our results with predictions of perturbation theory valid for weak interactions and with exact solutions available when the bosons in the medium behave as impenetrable particles.
We study thermodynamics of the 3D Hubbard model at half filling on approach to the Neel transition by means of large-scale unbiased Diagrammatic Determinant Monte Carlo simulations. We obtain the transition temperature in the strongly correlated regime, as well as temperature dependence of energy, entropy, double occupancy, and the nearest-neighbor spin correlation function. Our results improve the accuracy of previous unbiased studies and present accurate benchmarks in the ongoing effort to realize the antiferromagnetic state of matter with ultracold atoms in optical lattices.