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 fixed node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic limit values is emphasized. Cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods. arXiv:1505.02290v2 [cond-mat.str-el] 15

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We demonstrate how to identify which physical processes dominate the low-energy spectral functions of correlated electron systems. We obtain an unambiguous classification through an analysis of the equation of motion for the electron self-energy in its charge, spin, and particle-particle representations. Our procedure is then employed to clarify the controversial physics responsible for the appearance of the pseudogap in correlated systems. We illustrate our method by examining the attractive and repulsive Hubbard model in two dimensions. In the latter, spin fluctuations are identified as the origin of the pseudogap, and we also explain why d-wave pairing fluctuations play a marginal role in suppressing the low-energy spectral weight, independent of their actual strength. Introduction.-Correlated electron systems display some of the most fascinating phenomena in condensed matter physics, but their understanding still represents a formidable challenge for theory and experiments. For photoemission [1] or STM [2,3] spectra, which measure single-particle quantities, information about correlation is encoded in the electronic self-energy Σ. However, due to the intrinsically many-body nature of the problems, even an exact knowledge of Σ is not sufficient for an unambiguous identification of the underlying physics. A perfect example of this is the pseudogap observed in the single-particle spectral functions of underdoped cuprates [4], and, more recently, of their nickelate analogues [5]. Although relying on different assumptions, many theoretical approaches provide self-energy results compatible with the experimental spectra. This explains the lack of a consensus about the physical origin of the pseudogap: In the case of cuprates, the pseudogap has been attributed to spin fluctuations [6-10], preformed pairs [11][12][13][14][15], Mottness [16,17], and, recently, to the interplay with charge fluctuations [18][19][20][21] or to Fermi-liquid scenarios [22]. The existence and the role of (d-wave) superconducting fluctuations [11][12][13][14][15] in the pseudogap regime are still openly debated for the basic model of correlated electrons, the Hubbard model.Experimentally, the clarification of many-body physics is augmented by a simultaneous investigation at the two-particle level, i.e., via neutron scattering [23], infrared or optical [24] and pump-probe spectroscopy [25], muon-spin relaxation [26], and correlation or coincidence two-particle spectroscopies [27][28][29]. Analogously, theoretical studies of Σ can also be supplemented by a corresponding analysis at the two-particle level. In this

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The parquet decomposition of the self-energy into classes of diagrams, those associated with specific scattering processes, can be exploited for different scopes. In this work, the parquet decomposition is used to unravel the underlying physics of non-perturbative numerical calculations. We show the specific example of dynamical mean field theory (DMFT) and its cluster extensions (DCA) applied to the Hubbard model at half-filling and with hole doping: These techniques allow for a simultaneous determination of two-particle vertex functions and self-energies, and hence, for an essentially "exact" parquet decomposition at the single-site or at the cluster level. Our calculations show that the self-energies in the underdoped regime are dominated by spin scattering processes, consistent with the conclusions obtained by means of the fluctuation diagnostics approach [Phys. Rev. Lett. 114, 236402 (2015)]. However, differently from the latter approach, the parquet procedure displays important changes with increasing interaction: Even for relatively moderate couplings, well before the Mott transition, singularities appear in different terms, with the notable exception of the predominant spin-channel. We explain precisely how these singularities, which partly limit the utility of the parquet decomposition, and -more generally -of parquet-based algorithms, are never found in the fluctuation diagnostics procedure. Finally, by a more refined analysis, we link the occurrence of the parquet singularities in our calculations to a progressive suppression of charge fluctuations and the formation of an RVB state, which are typical hallmarks of a pseudogap state in DCA.

We present Maxent, a tool for performing analytic continuation of spectral functions using the maximum entropy method. The code operates on discrete imaginary axis datasets (values with uncertainties) and transforms this input to the real axis. The code works for imaginary time and Matsubara frequency data and implements the 'Legendre' representation of finite temperature Green's functions. It implements a variety of kernels, default models, and grids for continuing bosonic, fermionic, anomalous, and other data. Our implementation is licensed under GPLv2 and extensively documented. This paper shows the use of the programs in detail. Nature of problem: The analytic continuation of imaginary axis correlation functions to real frequency/time variables is an ill-posed problem which has an infinite number of solutions.Solution method: The maximum entropy method obtains a possible solution that maximizes entropy, enforces sum rules, and otherwise produces 'smooth' curves. Our implementation allows for input in Matsubara frequencies, imaginary time, or a Legendre expansion. It implements a range of bosonic, fermionic and generalized kernels for normal and anomalous Green's functions, self-energies, and two-particle response functions. Running time: 10s -2h per solution [1] B. Bauer, et al., The ALPS project release 2.0: open source software for strongly correlated systems, J. Stat. Mech. Theor. Exp. 2011 (05)

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The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries provide a convenient set of well-documented and reusable components for developing condensed matter physics simulation code, and the applications strive to make commonly used and proven computational algorithms available to a non-expert community. In this paper we present an updated and refactored version of the core ALPS libraries geared at the computational physics software development community, rewritten with focus on documentation, ease of installation, and software maintainability. PROGRAM SUMMARY