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.
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.
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).
An essential role for the description of correlated quantum many-particle systems is played by impurity problems. These consist of a small number of localized orbitals, where the electrons are subject to a Coulomb-interaction, coupled to noninteracting bath degrees of freedom. Impurity models are used for the description of magnetic impurities in metals, of quantum points in nanostructures, and in the context of the dynamical mean field theory (DMFT). For their solution a large number of numerical methods exists. We mention here quantum Monte Carlo methods, the numerical renormalization group, or the exact diagonalization method. In this thesis we introduce a new approach to impurity problems, which is based on the functional renormalization group (fRG). In contrast to the methods mentioned above this approach is approximative, but it can be applied with comparatively lower numerical effort. The aim of this thesis is to examine the advantages and limits of this method. An important role in this connection is played by the single impurity Anderson model (SIAM), which is already understood very well with other methods and is seen as a prototype for models with strong local correlations. The spin fluctuations of this model are governed by the so-called Kondo energy scale and a central question of this thesis is whether this scale can be reproduced with our approach. We begin with a short introduction to the Green's function formalism for correlated quantum many particle systems. Then the fRG flow equations for the one-particle irreducible vertex functions are deduced, and several approximation schemes are discussed. In chapter 4 we introduce the fRG scheme used in this thesis. At first the SIAM is mapped to a semi-infinite chain, in which the interacting orbital is given by the first site of this chain. The system is then subdivided into two parts. The first part, which is called 'core', consists of the interacting orbital and the first L bath sites. The remaining bath sites form the second part. At the beginning both parts are decoupled from each other such that the core can be solved exactly. Starting with this exact solution the coupling between the core and the remaining bath sites is switched on slowly in a renormalization group flow. This way it is possible to calculate the one-particle and two-particle correlation functions on the correlated site. We call this flow scheme 'hybridization flow'. The flow equations are formulated in an effective theory on the first bath site outside the core, which turns out to be advantageous compared to other implementations of the hybridization flow. In chapter 5 this hybridization flow method is applied to the SIAM with semi-elliptic bath density of states. We discuss the differences which arise for different core-sizes (L = 0,1,2,3) and for different truncations of the fRG flow equations. In the cases L=0 and L=2 the local Fermi liquid properties of the SIAM and the associated Kondo scale can not be reproduced in both approximation schemes. For the core sizes L=1 and L=3 the ground state of the core is already a spin singlet state in the beginning of the flow and the Fermi liquid properties are reproduced. The Kondo energy scale, which determines the width of the central quasi-particle peak and the size of the local spin-susceptibility, is however not accurately resolved. This is partly due to the finite temperature used in our implementation such that for larger interaction strength the temperature is above the Kondo energy scale. The application of the hybridization flow method to quantum impurity problems in the context of the DMFT is discussed in chapter 6. In this approach lattice models with a local interaction, like the Hubbard model, are mapped to an effective impurity problem for a single lattice site embedded in a dynamical mean field representing the influence of the other electrons. This scheme is exact in infinitely many dimensions and a nonperturbative approximation method for finite-dimensional systems. In particular the Mott metal-insulator transition in the Hubbard model is successfully described by this method. One class of quantities, which is easily accessible from the hybridization flow scheme, is given by the local two-particle correlation functions. These play an essential role in non-local extensions of the DMFT. Therefore we mainly focus on these quantities. At first we apply our flow scheme to the Hubbard model on the Bethe lattice in infinite dimensions and calculate the local one-particle irreducible vertex functions in the insulating and the metallic phase in good agreement with previous calculations, which use the exact diagonalization method as impurity solver. After this we extend our flow scheme to a cluster DMFT method, which includes short-range antiferromagnetic correlations and calculate again the local and non-local vertex functions for the two-dimensional Hubbard model. We compare these to the results of the single-site DMFT.
The treatment of strongly interacting two-dimensional Fermi systems constitutes one of the most challenging problems in the field of condensed matter physics. Many theoretical works focused on the strongly coupled Hubbard model, since it is expected to capture the most important physics of cuprate superconductors. Due to our methodological improvements and understanding of the frequency dependence of the two-particle vertex function, the functional renormalization group combined with the dynamical mean field theory can now be used to study competing correlations in the strongly interacting regime. While limited to moderate interaction strengths, the functional renormalization group describes efficiently systems with a hierarchy of different energy scales and competing correlations. For instance, it provides definite evidence for d-wave superconductivity in the two-dimensional Hubbard model at moderate coupling. In a first project, we study the frequency dependence of the one-particle irreducible vertex function generated by the functional renormalization group flow. The frequency dependence, which becomes singular for strong interactions, appears to be important already for moderate couplings, and it cannot be represented by separate channels each depending on a single linear combination of frequencies. For strongly interacting systems, the dynamical mean field theory captures strong local correlation effects nonperturbatively. With this approximation, we study the impact of local correlations on the magnetic susceptibility. The local dynamics strongly affects the spin response function and its momentum dependence. In contrast to the widely used random-phase approximation with self-energy corrections that predicts Néel antiferromagnetic order, the local vertex corrections favor an incommensurate order similar to the ordering instability predicted by the Fermi surface geometry, as for weakly interacting systems. The dynamical mean field theory is also used as starting point for the functional renormalization group flow. We demonstrate that, due to our improvements for the parametrization of the vertex function, this approach is actually able to access the strong coupling physics. Moreover, we derive a flow scheme that conserves the local contributions and reduces the truncation error of the flow equations. In the strongly interacting regime, we capture strong d-wave pairing correlations driven by magnetic fluctuations with a mechanism similar to the one observed in the weakly interacting system.
Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing us to capture their scale-dependent nature. The functional renormalization group (FRG) allows us to continuously evolve a microscopic model action to an effective low-energy action as a function of decreasing energy scales via an exact functional flow equation, which is then approximated by some truncation scheme to facilitate computation. Here, we report on our implementation of multiloop FRG, an extended truncation scheme recently developed for electronic FRG calculations, within the pseudofermion functional renormalization group (pf-FRG) framework for interacting quantum spin systems. We discuss in detail the conceptual intricacies of the flow equations generated by the multiloop truncation, as well as essential refinements to the integration scheme for the resulting integrodifferential equations. To benchmark our approach, we analyze antiferromagnetic Heisenberg models on the pyrochlore, simple cubic, and face-centered cubic lattice, discussing the convergence of physical observables for higher-loop calculations and comparing with existing results where available. Combined, these methodological refinements systematically improve the pf-FRG approach to one of the numerical tools of choice when exploring frustrated quantum magnetism in higher spatial dimensions.
Numerous correlated electron systems exhibit a strongly scale-dependent behavior. Upon lowering the energy scale, collective phenomena, bound states, and new effective degrees of freedom emerge. Typical examples include (i) competing magnetic, charge, and pairing instabilities in two-dimensional electron systems; (ii) the interplay of electronic excitations and order parameter fluctuations near thermal and quantum phase transitions in metals; and (iii) correlation effects such as Luttinger liquid behavior and the Kondo effect showing up in linear and nonequilibrium transport through quantum wires and quantum dots. The functional renormalization group is a flexible and unbiased tool for dealing with such scale-dependent behavior. Its starting point is an exact functional flow equation, which yields the gradual evolution from a microscopic model action to the final effective action as a function of a continuously decreasing energy scale. Expanding in powers of the fields one obtains an exact hierarchy of flow equations for vertex functions. Truncations of this hierarchy have led to powerful new approximation schemes. This review is a comprehensive introduction to the functional renormalization group method for interacting Fermi systems. A self-contained derivation of the exact flow equations is presented and frequently used truncation schemes are described. Reviewing selected applications it is shown how approximations based on the functional renormalization group can be fruitfully used to improve our understanding of correlated fermion systems.
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.