We develop a Monte Carlo scheme for sampling series of Feynman diagrams for the proper self-energy which are self-consistently expressed in terms of renormalized particle propagators. This approach is used to solve the problem of a single spin-down fermion resonantly interacting with the Fermi gas of spin-up particles. Though the original series based on bare propagators are sign-alternating and divergent one can still determine the answer behind them by using two strategies (separately or together): (i) using proper series re-summation techniques, and (ii) introducing renormalized propagators which are defined in terms of the simulated proper self-energy, i.e. making the entire scheme self-consistent. Our solution is important for understanding the phase diagram and properties of the BCS-BEC crossover in the strongly imbalanced regime. On the technical side, we develop a generic sign-problem tolerant method for exact numerical solution of polaron-type models, and, possibly, of the interacting many-body Hamiltonians.
We present a general framework for performing "bold-line" diagrammatic Monte Carlo calculations based on using an analytical partial resummation as a starting point for stochastically summing all diagrams. As an example we solve the one orbital Anderson model using the non-crossing approximation as a starting point. We assess the accuracy of the method by using it to solve the equations of single-site dynamical mean field theory. We establish the validity of the starting approximations and show that the bold method provides a very accurate treatment of the Mott-insulating phase.
We develop an approximation-free Diagrammatic Monte Carlo technique to study fermionic particles interacting with each other simultaneously through both an attractive Coulomb potential and bosonic excitations of the underlying medium. Exemplarily we apply the method to the long-standing exciton-polaron problem and present numerically exact results for the wave function, ground-state energy, binding energy and effective mass of this quasiparticle. Focusing on the electron-hole pair bound-state formation, we discuss various limiting cases of a generic exciton-polaron model. The frequently used i…
In the context of the Holstein polaron problem it is shown that the dynamical mean field theory (DMFT) corresponds to the summation of a special class of local diagrams in the skeleton expansion of the self-energy. In the real space representation, these local diagrams are characterized by the absence of vertex corrections involving phonons at different lattice sites. Such corrections vanish in the limit of infinite dimensions, for which the DMFT provides the exact solution of the Holstein polaron problem. However, for finite dimensional systems the accuracy of the DMFT is limited. In particul…
We study the interplay of electron-electron and electron-phonon interactions in the course of electron-hole bound state formation for gapped solid state systems. Adapting the essentially approximation-free diagrammatic Monte Carlo method for the calculation of the optical response, we discuss the absorption of light in correlated electron-phonon systems for the whole interaction and phonon frequency regimes. The spectral function obtained by analytical continuation from the imaginary-time current-current correlation function demonstrates the dressing of excitons by a phonon cloud when the coup…
Using fermionic representation of spin degrees of freedom within the Popov-Fedotov approach we develop an algorithm for Monte Carlo sampling of skeleton Feynman diagrams for Heisenberg type models. Our scheme works without modifications for any dimension of space, lattice geometry, and interaction range, i.e. it is suitable for dealing with frustrated magnetic systems at finite temperature. As a practical application we compute uniform magnetic susceptibility of the antiferromagnetic Heisenberg model on the triangular lattice and compare our results with the best available high-temperature exp…
We introduce a Monte Carlo scheme for sampling bold-line diagrammatic series specifying an unknown function in terms of itself. The range of convergence of this bold(-line) diagrammatic Monte Carlo (BMC) is significantly broader than that of a simple iterative scheme for solving integral equations. With BMC technique, a moderate "sign problem" turns out to be an advantage in terms of the convergence of the process. For an illustrative example, we solve one-particle s-scattering problem. As an important application, we obtain T-matrix for a fermipolaron (one spin-down particle interacting with …
We present recent advances in understanding of the ground and excited states of the electron-phonon coupled systems obtained by novel methods of Diagrammatic Monte Carlo and Stochastic Optimization, which enable the approximation-free calculation of Matsubara Green function in imaginary times and perform unbiased analytic continuation to real frequencies. We present exact numeric results on the ground state properties, Lehmann spectral function and optical conductivity of different strongly correlated systems: Frohlich polaron, Rashba-Pekar exciton-polaron, pseudo Jahn-Teller polaron, exciton,…
We demonstrate, by considering the triangular lattice spin-1/2 Heisenberg model, that Monte Carlo sampling of skeleton Feynman diagrams within the fermionization framework offers a universal first-principles tool for strongly correlated lattice quantum systems. We observe the fermionic sign blessing---cancellation of higher order diagrams leading to a finite convergence radius of the series. We calculate the magnetic susceptibility of the triangular-lattice quantum antiferromagnet in the correlated paramagnet regime and reveal a surprisingly accurate microscopic correspondence with its classic…
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 …
We introduce a simple determinant diagrammatic Monte Carlo algorithm to compute the ground-state properties of a particle interacting with a Fermi sea through a zero-range interaction. The fermionic sign does not cause any fundamental problem when going to high diagram orders, and we reach order $N=30$. The data reveal that the diagrammatic series diverges exponentially as $(-1/R)^{N}$ with a radius of convergence $R<1$. Furthermore, on the polaron side of the polaron-dimeron transition, the value of $R$ is determined by a special class of three-body diagrams, corresponding to repeated scatter…
We introduce the first bold diagrammatic Monte Carlo approach to deal with polaron problems at finite density non-perturbatively, i.e., by including vertex corrections to high orders. Using Holstein model on a square lattice as a prototypical example, we demonstrate that our method is capable of providing accurate results in the thermodynamic limit in all regimes from renormalized Fermi-liquid to single polarons, across the non-adiabatic region where Fermi and Debye energies are of the same order of magnitude. By accounting for vertex corrections the accuracy of theoretical description is incr…
Exact theory of the finite-temperature spectral function of Fermi polarons with multiple particle-hole excitations: Diagrammatic theory versus Chevy ansatz
The diagrammatic Monte Carlo (Diag-MC) method is a numerical technique which samples the entire diagrammatic series of the Green's function in quantum many-body systems. In this work, we incorporate the flat histogram principle in the diagrammatic Monte method and we term the improved version "Flat Histogram Diagrammatic Monte Carlo" method. We demonstrate the superiority of the method over the standard Diag-MC in extracting the long-imaginary-time behavior of the Green's function, without incorporating any a priori knowledge about this function, by applying the technique to the polaron proble…
The translationally invariant diagrammatic quantum perturbation theory (TPT) is applied to the polaron problem on the 1D lattice, modeled through the Holstein Hamiltonian with the phonon frequency omega0, the electron hopping t and the electron-phonon coupling constant g. The self-energy diagrams of the fourth-order in g are calculated exactly for an intermittently added electron, in addition to the previously known second-order term. The corresponding quadratic and quartic corrections to the polaron ground state energy become comparable at t/omega0>1 for g/omega0~(t/omega0)^{1/4} when the ele…
A path-integral representation is constructed for the Jahn-Teller polaron (JTP). It leads to a perturbation series that can be summed exactly by the diagrammatic Quantum Monte Carlo technique. The ground-state energy, effective mass, spectrum and density of states of the three-dimensional JTP are calculated with no systematic errors. The band structure of JTP interacting with dispersionless phonons, is found to be similar to that of the Holstein polaron. The mass of JTP increases exponentially with the coupling constant. At small phonon frequencies, the spectrum of JTP is flat at large momenta…
Recently, Kozik, Ferrero and Georges have discovered numerically that for a family of fundamental models of interacting fermions, the self-energy $Σ[G]$ is a multi-valued functional of the fully dressed single-particle propagator G, and that the skeleton diagrammatic series $Σ_{\rm bold}[G]$ converges to the wrong branch above a critical interaction strength. We consider the zero space-time dimensional case, where the same mathematical phenomena appear from elementary algebra. We also find a similar phenomenology for the fully bold formalism built on fully dressed single-particle propagator an…
Non-local, inhomogeneous and retarded response observed in experiments is reproduced by introducing the Inhomogeneous Momentum Average (IMA) method to study single polaron problems with disorder in the on-site potential and/or spatial variations of the electron-phonon couplings and/or phonon frequencies. We show that the electron-phonon coupling gives rise to an additional inhomogeneous, strongly retarded potential, which makes instant approximations questionable. The accuracy of IMA is demonstrated by comparison with results from the approximation free Diagrammatic Monte Carlo (DMC) method. I…
The bold diagrammatic Monte Carlo (BDMC) method performs an unbiased sampling of Feynman's diagrammatic series using skeleton diagrams. For lattice models the efficiency of BDMC can be dramatically improved by incorporating dynamic mean-field theory (DMFT) solutions into renormalized propagators. From the DMFT perspective, combining it with BDCM leads to an unbiased method with well-defined accuracy. We illustrate the power of this approach by computing the single-particle propagator (and thus the density of states) in the non-perturbative regime of the Anderson localization problem, where a g…
We develop a simple diagrammatic low-energy boson exchange strong-coupling model for an antiferromagnetically correlated polaronic metal. Important low-temperature features of such a model are (i) a large polaronic mass enhancement $Z$ and a strongly narrowed, low-energy, near-Fermi-level van Hove resonance peak in the interacting density of states at temperatures $T$ well below the lattice tunneling energy scale $Ω_t$; (ii) a rapid thermal suppression of $Z$ and of the van Hove resonance which occurs when the temperature $T$ becomes comparable to the lattice tunneling excitation energy scale …
University of Michigan（密歇根大学）；Institute of Theoretical Physics, Faculty of Physics, University of Warsaw（华沙大学物理学院理论物理研究所）；Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所北京凝聚态物理国家实验室）
The notion of a polaron, originally introduced in the context of electrons in ionic lattices, helps us to understand how a quantum impurity behaves when being immersed in and interacting with a many-body background. We discuss the impact of the impurities on the medium particles by considering feedback effects from polarons that can be realized in ultracold quantum gas experiments. In particular, we exemplify the modifications of the medium in the presence of either Fermi or Bose polarons. Regarding Fermi polarons we present a corresponding many-body diagrammatic approach operating at finite t…
A Monte Carlo sampling of diagrammatic corrections to the non-crossing approximation is shown to provide numerically exact estimates of the long-time dynamics and steady state properties of nonequilibrium quantum impurity models. This `bold' expansion converges uniformly in time and significantly ameliorates the sign problem that has heretofore limited the power of real-time Monte Carlo approaches to strongly interacting real-time quantum problems. The new approach enables the study of previously intractable problems ranging from generic long time nonequilibrium transport characteristics in sy…
Numerical results for ground state and excited state properties (energies, double occupancies, and Matsubara-axis self energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a …
This is a review of recent developments in Monte Carlo methods in the field of ultra cold gases. For bosonic atoms in an optical lattice we discuss path integral Monte Carlo simulations with worm updates and show the excellent agreement with cold atom experiments. We also review recent progress in simulating bosonic systems with long-range interactions, disordered bosons, mixtures of bosons, and spinful bosonic systems. For repulsive fermionic systems determinantal methods at half filling are sign free, but in general no sign-free method exists. We review the developments in diagrammatic Monte…
Polarons originating from phonon displacement modulated hopping have relatively light masses and, thus, are of significant current interest as candidates for bipolaron mechanism of high-temperature superconductivity [Phys. Rev. Lett. {\bf 121}, 247001 (2018)]. We observe that the bond model, when the dominant coupling comes from atomic vibrations on lattice bonds, can be solved by efficient sign-free Monte Carlo methods based on the path-integral formulation of the particle sector in combination with either the (real-space) diagrammatic or Fock-path-integral representation of the phonon sector…
