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Physical review. B, Condensed matter

Renormalization-group acceleration of self-consistent field solutions: Two-dimensional Hubbard model

Chien-Hua Pao, N. E. Bickers

Published Jan 15, 1994• 48 citations
Publisher

Abstract

Momentum- and frequency-dependent self-consistent field theories provide a potentially powerful tool for analyzing condensed-matter models for interacting electrons. Such theories generally require the solution of multidimensional integral equations. Solutions are limited by demands on computational time and storage, which increase rapidly for calculation of low-temperature properties. A renormalization-group technique which allows the sequential elimination of regions of high frequency and momentum is presented in detail, and is then applied to the solution of the fluctuation exchange approximation for the two-dimensional Hubbard model. Effective meshes with as many as ${10}^{4}$ frequencies and ${512}^{2}$ k points can be analyzed on a vector supercomputer using this approach. As a sample application, it is demonstrated that the fluctuation exchange approximation exhibits non-Fermi liquid behavior near half filling for sufficiently large interaction strengths.

DOI
10.1103/physrevb.49.1586

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Momentum- and frequency-dependent self-consistent field theories provide a potentially powerful tool for analyzing condensed-matter models for interacting electrons. Such theories generally require the solution of multidimensional integral equations. Solutions are limited by demands on computational time and storage, which increase rapidly for calculation of low-temperature properties. A renormalization-group technique which allows the sequential elimination of regions of high frequency and momentum is presented in detail, and is then applied to the solution of the fluctuation exchange approximation for the two-dimensional Hubbard model. Effective meshes with as many as 104{10}^{4}104 frequencies and 5122{512}^{2}5122 k points can be analyzed on a vector supercomputer using this approach. As a sample application, it is demonstrated that the fluctuation exchange approximation exhibits non-Fermi liquid behavior near half filling for sufficiently large interaction strengths.
I present a numerical treatment for the retarded self-energy in two dimensions (2D), which is formally exact for the frequency and the momentum sums occurring in perturbation theory with respect to the Coulomb interaction U. In this frequency- and momentum-renormalization-group technique, which allows the sequential elimination of regions of high frequencies and momenta, I focus on the 2D fluctuation-exchange approximation for the Hubbard model. I present results for the self-energy and the spectral density down to temperatures t=${10}^{\mathrm{\ensuremath{-}}4}$/t (the next neighbor hopping amplitude). The obtained result shows evidence for a Fermi-liquid phase for bandfillings n near half filling for U/t=2 to U/t=8 for T\ensuremath{\rightarrow}0.
Due to the retarded nature of the phonon-mediated electron-electron interaction, neither fast Fourier transform (FFT) nor previously developed NRG methods for Hubbard-type purely electronic models are applicable, while brute-force solutions are limited by the demands on computational time and storage which increase rapidly at low temperature T. A new numerical renormalization group (NRG) approach to the solution of self-consistent-field equations for correlated lattice electrons is illustrated for the two-dimensional Hubbard-type model. This approach allows us to handle the fermion frequency matrix inversions in the FLEX equations efficiently. Several orders of magnitude of CPU time and storage can be saved at the temperature scales relevant to electronic phase transitions.
Results of a conserving fluctuation exchange calculation for the superconducting state of a two-dimensional Hubbard model are presented. Self-consistent solutions for the full momentum- and frequency-dependent gap, renormalization, and frequency shift parameters have been obtained. The resulting frequency- and momentum-dependent gap is found to have dx2{\mathit{d}}_{\mathit{x}}^{2}dx2​-y2{\mathit{y}}^{2}y2 symmetry. Below Tc{\mathit{T}}_{\mathit{c}}Tc​, the maximum gap opens rapidly to a low temperature 2\ensuremath{\Delta}(0)/kTc{\mathit{kT}}_{\mathit{c}}kTc​ value of order 10. We find that the effective interaction arising from the exchange of spin and charge fluctuations is stabilized by self-energy feedback effects as the superconducting gap opens.
Using a leading algorithmic implementation of the functional renormalization group (fRG) for interacting fermions on two-dimensional lattices, we provide a detailed analysis of its quantitative reliability for the Hubbard model. In particular, we show that the recently introduced multiloop extension of the fRG flow equations for the self-energy and two-particle vertex allows for a precise match with the parquet approximation also for two-dimensional lattice problems. The refinement with respect to previous fRG-based computation schemes relies on an accurate treatment of the frequency and momentum dependences of the two-particle vertex, which combines a proper inclusion of the high-frequency asymptotics with the so-called truncated unity fRG for the momentum dependence. The adoption of the latter scheme requires, as an essential step, a consistent modification of the flow equation of the self-energy. We quantitatively compare our fRG results for the self-energy and momentum-dependent susceptibilities and the corresponding solution of the parquet approximation to determinant quantum Monte Carlo data, demonstrating that the fRG is remarkably accurate up to moderate interaction strengths. The presented methodological improvements illustrate how fRG flows can be brought to a quantitative level for two-dimensional problems, providing a solid basis for the application to more general systems.
A frequency- and momentum-renormalization-group acceleration together with an analytical approach is used to obtain the retarded Green's function in the self-consistent and conserving fluctuation-exchange (FLEX) approximation for the two-dimensional Hubbard model in the normal state and in the superconducting state. The analytical expressions for this approach are given. For band-fillings near half filling the self-energy in the normal state exhibits Fermi-liquid behaviour for, low temperatures and frequencies near the chemical potential, if the momentum is chosen near the Fermi-surface. However due to the presence of large many body effects the observed Fermi-liquid region near the chemical potential and near the Fermi-surface is very small. Results for the single particle density of states, the occupation number and the spectral function are presented. The superconducting state with symmetry is obtained for U = 2 to U = 6 and a (U, n)-phase diagram for the transition temperature Tc is presented. A maximum Tc/t of 0.0275 is obtained for U = 6 near half filling.
Using a leading algorithmic implementation of the functional renormalization group (fRG) for interacting fermions on two-dimensional lattices, we provide a detailed analysis of its quantitative reliability for the Hubbard model.In particular, we show that the recently introduced multiloop extension of the fRG flow equations for the self-energy and two-particle vertex allows for a precise match with the parquet approximation also for twodimensional lattice problems.The refinement with respect to previous fRG-based computation schemes relies on an accurate treatment of the frequency and momentum dependences of the two-particle vertex, which combines a proper inclusion of the high-frequency asymptotics with the so-called truncated unity fRG for the momentum dependence.The adoption of the latter scheme requires, as an essential step, a consistent modification of the flow equation of the self-energy.We quantitatively compare our fRG results for the self-energy and momentumdependent susceptibilities and the corresponding solution of the parquet approximation to determinant quantum Monte Carlo data, demonstrating that the fRG is remarkably accurate up to moderate interaction strengths.The presented methodological improvements illustrate how fRG flows can be brought to a quantitative level for two-dimensional problems, providing a solid basis for the application to more general systems.