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arXiv:1912.07469 · Physical review. B./Physical review. B

Truncated unity parquet solver

Christian Eckhardt, Carsten Honerkamp A, Karsten Held, Anna Kauch

Published Apr 6, 2020• 64 citations
arXivHTMLPDF

Abstract

We present an implementation of a truncated unity parquet solver (TUPS) which solves the parquet equations using a truncated form-factor basis for the fermionic momenta. This way fluctuations from different scattering channels are treated on an equal footing. The essentially linear scaling of computational costs in the number of untruncated bosonic momenta allows us to treat system sizes of up to $76\ifmmode\times\else\texttimes\fi{}76$ discrete lattice momenta, unprecedented by previous unbiased methods that include the frequency dependence of the vertex. With TUPS, we provide the first numerical evidence that the parquet approximation might indeed respect the Mermin-Wagner theorem and further systematically analyze the convergence with respect to the number of form factors. Using a single form factor seems to qualitatively describe the physics of the half-filled Hubbard model correctly, including the pseudogap behavior. Quantitatively, using a single or a few form factors only is not sufficient at lower temperatures or stronger coupling.

DOI
10.1103/physrevb.101.155104

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We present an implementation of a truncated unity parquet solver (TUPS) which solves the parquet equations using a truncated form-factor basis for the fermionic momenta. This way fluctuations from different scattering channels are treated on an equal footing. The essentially linear scaling of computational costs in the number of untruncated bosonic momenta allows us to treat system sizes of up to 76\ifmmode×\else\texttimes\fi7676\ifmmode\times\else\texttimes\fi{}7676\ifmmode×\else\texttimes\fi76 discrete lattice momenta, unprecedented by previous unbiased methods that include the frequency dependence of the vertex. With TUPS, we provide the first numerical evidence that the parquet approximation might indeed respect the Mermin-Wagner theorem and further systematically analyze the convergence with respect to the number of form factors. Using a single form factor seems to qualitatively describe the physics of the half-filled Hubbard model correctly, including the pseudogap behavior. Quantitatively, using a single or a few form factors only is not sufficient at lower temperatures or stronger coupling.
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The parquet equations are a self-consistent set of equations for the effective two-particle vertex of an interacting many-fermion system. The application of these equations to bulk models is, however, demanding due to the complex emergent momentum and frequency structure of the vertex. Here, we show how a channel decomposition by means of truncated unities, which was developed in the context of the functional renormalization group to efficiently treat the momentum dependence, can be transferred to the parquet equations. This leads to a significantly reduced complexity and memory consumption scaling only linearly with the number of discrete momenta. We apply this technique to the half-filled repulsive Hubbard model on the square lattice and present approximate solutions for the channel-projected vertices and the full reducible vertex.
Abstract The parquet approach to vertex corrections is unbiased but computationally demanding. Most applications are therefore restricted to small cluster sizes or rely on various simplifying approximations. We have recently shown that the bosonization of the parquet diagrams provides interpretative and algorithmic advantages over the original purely fermionic formulation. Here, we present first results of the numerical implementation of this method by applying it to the half-filled Hubbard model on the square lattice at weak coupling. The improved algorithmic performance allows us to evaluate the parquet approximation for a 16×1616\times 1616×16 16 × 16 lattice, retaining the full momentum and frequency structure of the various vertex functions. We discuss their symmetries and consider parametrizations of their momentum dependence using the truncated-unity approximation. Graphical abstract
{\it Victory}, i.e. \underline{vi}enna \underline{c}omputational \underline{to}ol deposito\underline{ry}, is a collection of numerical tools for solving the parquet equations for the Hubbard model and similar many body problems. The parquet formalism is a self-consistent theory at both the single- and two-particle levels, and can thus describe individual fermions as well as their collective behavior on equal footing. This is essential for the understanding of various emergent phases and their transitions in many-body systems, in particular for cases in which a single-particle description fails. Our implementation of {\it victory} is in modern Fortran and it fully respects the structure of various vertex functions in both momentum and Matsubara frequency space. We found the latter to be crucial for the convergence of the parquet equations, as well as for the correct determination of various physical observables. In this release, we thoroughly explain the program structure and the controlled approximations to efficiently solve the parquet equations, i.e. the two-level kernel approximation and the high-frequency regulation.
We present the finite-difference parquet method that greatly improves the applicability and accuracy of two-particle correlation approaches to interacting electron systems. This method incorporates the nonperturbative local physics from a reference solution and builds all parquet diagrams while circumventing potentially divergent irreducible vertices. Its unbiased treatment of different fluctuations is crucial for reproducing the strong-coupling pseudogap in the underdoped Hubbard model, consistent with diagrammatic Monte Carlo calculations. We reveal a strong-coupling spin-fluctuation mechanism of the pseudogap with decisive vertex corrections that encode the enhanced, energy-dependent scattering amplitude between electrons and antiferromagnetic spin fluctuations.
We have implemented the dynamical vertex approximation $(\mathrm{D}\ensuremath{\Gamma}\mathrm{A})$ in its full parquet-based version to include spatial correlations on all length scales and in all scattering channels. The algorithm is applied to study the electronic self-energies and the spectral properties of finite-size one-dimensional Hubbard models with periodic boundary conditions (nanoscopic Hubbard rings). From a methodological point of view, our calculations and their comparison to the results obtained within dynamical mean-field theory, plain parquet approximation, and the exact numerical solution allow us to evaluate the performance of the $\mathrm{D}\ensuremath{\Gamma}\mathrm{A}$ algorithm in the most challenging situation of low dimensions. From a physical perspective, our results unveil how nonlocal correlations affect the spectral properties of nanoscopic systems of various sizes in different regimes of interaction strength.