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arXiv:1309.3262 · Physical Review B

Cluster functional renormalization group

Johannes Reuther, Ronny Thomale

Published Jan 15, 2014• 32 citations
arXivHTMLPDF

Abstract

Functional renormalization group (FRG) has become a diverse and powerful tool to derive effective low-energy scattering vertices of interacting many-body systems. Starting from a free expansion point of the action, the flow of the RG parameter $\ensuremath{\Lambda}$ allows us to trace the evolution of the effective one- and two-particle vertices towards low energies by taking into account the vertex corrections between all parquet channels in an unbiased fashion. In this work, we generalize the expansion point at which the diagrammatic resummation procedure is initiated from a free UV limit to a cluster product state. We formulate a cluster FRG scheme where the noninteracting building blocks (i.e., decoupled spin clusters) are treated exactly, and the intercluster couplings are addressed via RG. As a benchmark study, we apply our cluster FRG scheme to the spin-$\frac{1}{2}$ bilayer Heisenberg model (BHM) on a square lattice where the neighboring sites in the two layers form the individual two-site clusters. Comparing with existing numerical evidence for the BHM, we obtain reasonable findings for the spin susceptibility, the spin-triplet excitation energy, and quasiparticle weight even in coupling regimes close to antiferromagnetic order. The concept of cluster FRG promises applications to a large class of interacting electron systems.

DOI
10.1103/physrevb.89.024412

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Functional renormalization group (FRG) has become a diverse and powerful tool to derive effective low-energy scattering vertices of interacting many-body systems. Starting from a free expansion point of the action, the flow of the RG parameter \ensuremathΛ\ensuremath{\Lambda}\ensuremathΛ allows us to trace the evolution of the effective one- and two-particle vertices towards low energies by taking into account the vertex corrections between all parquet channels in an unbiased fashion. In this work, we generalize the expansion point at which the diagrammatic resummation procedure is initiated from a free UV limit to a cluster product state. We formulate a cluster FRG scheme where the noninteracting building blocks (i.e., decoupled spin clusters) are treated exactly, and the intercluster couplings are addressed via RG. As a benchmark study, we apply our cluster FRG scheme to the spin-12\frac{1}{2}21​ bilayer Heisenberg model (BHM) on a square lattice where the neighboring sites in the two layers form the individual two-site clusters. Comparing with existing numerical evidence for the BHM, we obtain reasonable findings for the spin susceptibility, the spin-triplet excitation energy, and quasiparticle weight even in coupling regimes close to antiferromagnetic order. The concept of cluster FRG promises applications to a large class of interacting electron systems.
This thesis aims at developing new schemes for the treatment of correlation effects in condensed matter systems using quantum field theoretical approaches. In particular, our goal is to extend the description of correlation physics at the two-particle level. This is necessary for an unbiased treatment of condensed matter systems that exhibit electronic correlations and competing ordering tendencies. In this respect, the functional renormalization group (fRG) approaches have surely contributed substantially over the last years, as they account for all scattering channels and their mutual feedback effects in an unbiased way. In spite of its flexibility, the application of the fRG is limited by its inherent perturbative nature. To go beyond the conventional weak-coupling implementations, we discuss the general idea to extend fRG based computational schemes by using an exactly solvable interacting reference problem as starting point for the RG flow. The systematic expansion around this solution accounts for a non-perturbative inclusion of correlations at both, the one-particle (self-energy) and two-particle (vertex functions) level. The full treatment of the two-particle vertex functions, however, poses a huge limitation to the numerical performance, not only in the fRG, but in several forefront many-body algorithms. In this perspective, we provide a detailed diagrammatic analysis of the frequency and momentum structures of the vertex functions, together with their physical interpretation. This constitutes the basis for sophisticated parametrization schemes. We then explain the technical details necessary for cutting-edge numerical implementations, and further benchmark our ideas using refined implementations of both, the fRG and the parquet approximation (PA).
We present a reformulation of the functional renormalization group (fRG) for many-electron systems, which relies on the recently introduced single-boson exchange (SBE) representation of the parquet equations [F. Krien, A. Valli, and M. Capone, Phys. Rev. B 100, 155149 (2019)]. The latter exploits a diagrammatic decomposition, which classifies the contributions to the full scattering amplitude in terms of their reducibility with respect to cutting one interaction line, naturally distinguishing the processes mediated by the exchange of a single boson in the different channels. We apply this idea to the fRG by splitting the one-loop fRG flow equations for the vertex function into SBE contributions and a residual four-point fermionic vertex. Similarly as in the case of parquet solvers, recasting the fRG algorithm in the SBE representation offers both computational and interpretative advantages: The SBE decomposition not only significantly reduces the numerical effort of treating the high-frequency asymptotics of the flowing vertices, but it also allows for a clear physical identification of the collective degrees of freedom at play. We illustrate the advantages of an SBE formulation of fRG-based schemes, by computing through the merger of dynamical mean-field theory and fRG the susceptibilities and the Yukawa couplings of the two-dimensional Hubbard model from weak to strong coupling, for which we also present an intuitive physical explanation of the results. The SBE formulation of the one-loop flow equations paves a promising route for future multiboson and multiloop extensions of fRG-based algorithms.
The functional renormalization group (fRG) approach has the property that, in general, the flow equation for the two-particle vertex generates O(N4)\mathcal{O}({N}^{4})O(N4) independent variables, where NNN is the number of interacting states (e.g., sites of a real-space discretization). In order to include the flow equation for the two-particle vertex, one needs to make further approximations if NNN becomes too large. We present such an approximation scheme, called the coupled-ladder approximation, for the special case of an onsite interaction. Like the generic third-order-truncated fRG, the coupled-ladder approximation is exact to second order and is closely related to a simultaneous treatment of the random phase approximation in all channels, i.e., summing up parquet-type diagrams. The scheme is applied to a one-dimensional model describing a quantum point contact.
We present a functional renormalization group (fRG) study of the two dimensional Hubbard model, performed with an algorithmic implementation which lifts some of the common approximations made in fRG calculations. In particular, in our fRG flow; (i) we take explicitly into account the momentum and the frequency dependence of the vertex functions; (ii) we include the feedback effect of the self-energy; (iii) we implement the recently introduced multiloop extension which allows us to sum up all the diagrams of the parquet approximation with their exact weight. Due to its iterative structure based on successive one-loop computations, the loop convergence of the fRG results can be obtained with an affordable numerical effort. In particular, focusing on the analysis of the physical response functions, we show that the results become independent from the chosen cutoff scheme and from the way the fRG susceptibilities are computed, i.e., either through flowing couplings to external fields, or through a “post-processing” contraction of the interaction vertex at the end of the flow. The presented substantial refinement of fRG-based computation schemes paves a promising route towards future quantitative fRG analyses of more challenging systems and/or parameter regimes.
Strongly correlated electron systems host a plethora of fascinating physical phenomena and pose formidable challenges in their theoretical analysis. The challenges originate from the inherent complexity of the quantum many-body problem - no classical computer will ever be able to fully simulate these systems - and the lack of an effective single-particle picture, as the strong mutual interactions make it impossible to regard the electrons as independent from each other. As a consequence, most systems of correlated electrons can only be tackled approximately and numerically. In this thesis, we develop a set of numerical methods for strongly correlated electrons, which are inspired by the renormalization group (RG) idea of including degrees of freedom successively from high to low energies. This enables an efficient organization of the diverse fluctuations and is key for an accurate treatment of interacting quantum systems, where collective behavior and composite objects emerge at energy scales far below those of the microscopic constituents. In a first part, we consider the functional renormalization group (fRG), a versatile framework to study the flow of correlation functions upon modulating the underlying action. Though widely used, it has often acted more as a qualitative rather than quantitative method, due a nontransparent approximation induced by truncating the hierarchy of flow equations. We develop an iterative multiloop fRG (mfRG) scheme, which ameliorates this approximation and eliminates many of the drawbacks of fRG experienced hitherto. In particular, it restores the independence of results on the choice of RG regulator and establishes a rigorous relation to the parquet formalism. Furthermore, we show how to derive the flow equations directly from self-consistent many-body relations. This establishes a form of diagrammatic resummations at the two-particle level which circumvents ill-behaved two-particle-irreducible vertices. An application to the prototypical two-dimensional Hubbard model illustrates how our multiloop scheme elevates the fRG approach to correlated electron systems to a quantitative level. Secondly, we employ the numerical renormalization group (NRG), based on the iterative diagonalization of impurity Hamiltonians, in conjunction with the dynamical mean-field theory (DMFT) to describe local correlations in multiorbital systems. Having access to arbitrarily low temperatures and energies, NRG is a unique, real-frequency impurity solver for DMFT. It has been pivotal to the understanding of Hund metals, where strong correlations arise from Hund's rules even at moderate Coulomb repulsion. Building on recent methodological advances, we extend the range of application of DMFT+NRG from orbital-degenerate models to more realistic setups: We first study orbital differentiation in a three-orbital Hund-metal model and unravel key effects of the orbital-selective Mott transition. In a real-materials setting, we then incorporate the bandstructure from density functional theory (DFT) and analyze the archetypal Hund-metal material Sr2RuO4. We particularly follow its RG flow to the Fermi-liquid regime at previously inaccessible low temperatures and generally present DFT+DMFT+NRG as a new computational paradigm for strongly correlated materials. As a side project of our fRG work, we develop an algorithm to count Feynman diagrams from closed many-body relations, which reveals the surprising outcome that totally irreducible contributions are responsible for the factorial growth in the number of diagrams. Additionally, we use NRG to study transport through three-level quantum dots and provide benchmark data for other RG methods, which aim at further describing these systems in nonequilibrium.
We consider the application of the two-loop functional renormalization group (fRG) approach to study the low-dimensional Hubbard model. This approach accounts for both the universal and nonuniversal contributions to the RG flow. While the universal contributions were studied previously within the field-theoretical RG for the one-dimensional Hubbard model with linearized electronic dispersion and the two-dimensional Hubbard model with flat Fermi surface, the nonuniversal contributions to the flow of the vertices and susceptibilities appear to be important at large momenta scales. The two-loop fRG approach is also applied to the two-dimensional Hubbard model with a curved Fermi surface and the van Hove singularities near the Fermi level. The vertices and susceptibilities in the end of the flow of the two-loop approach are suppressed in comparison with both the one-loop approach with vertex projection and the modified one-loop approach with corrected vertex projection errors. The results of the two-loop approach are closer to the results of one-loop approach with the projected vertices, the difference of the results of one- and two-loop fRG approaches decreases when going away from the van Hove band filling. The quasiparticle weight remains finite in two dimensions at not too low temperatures above the paramagnetic ground state.