Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing to capture their scale-dependent nature. The functional renormalization group (FRG) allows 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 transcription of a recently developed multiloop truncation approach for electronic FRG calculations to the pseudo-fermion functional renormalization group (pf-FRG) 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 integro-differential 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.
We present a multiloop flow equation for the four-point vertex in the functional renormalization group (fRG) framework. The multiloop flow consists of successive one-loop calculations and sums up all parquet diagrams to arbitrary order. This provides substantial improvement of fRG computations for the four-point vertex and, consequently, the self-energy. Using the X-ray-edge singularity as an example, we show that solving the multiloop fRG flow is equivalent to solving the (first-order) parquet equations and illustrate this with numerical results.
We present multiloop flow equations in the functional renormalization group (fRG) framework for the four-point vertex and self-energy, formulated for a general fermionic many-body problem. This generalizes the previously introduced vertex flow [F. B. Kugler and J. von Delft, Phys. Rev. Lett. 120, 057403 (2018)] and provides the necessary corrections to the self-energy flow in order to complete the derivative of all diagrams involved in the truncated fRG flow. Due to its iterative one-loop structure, the multiloop flow is well-suited for numerical algorithms, enabling improvement of many fRG co…
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 {\emph{all}} the diagrams of the parquet approximation with their exact weight. Due to its iterative struct…
We present a multiloop pseudofermion functional renormalization group (pffRG) approach to quantum spin systems. As a test case, we study the spin-$\tfrac{1}{2}$ Heisenberg model on the kagome lattice, a prime example of a geometrically frustrated magnet believed to host a quantum spin liquid. Our main physical result is that, at pure nearest-neighbor coupling, the system shows indications for an algebraic spin liquid through slower-than-exponential decay with distance for the static spin susceptibility, while the pseudofermion self-energy develops intriguing low-energy features. Methodological…
We investigate several fundamental characteristics of the multiloop functional renormalization group (mfRG) flow by hands of its application to a prototypical many-electron system: the Anderson impurity model (AIM). We first analyze the convergence of the algorithm in the different parameter regions of the AIM. As no additional approximation is made, the multiloop series for the local self-energy and response functions converge perfectly to the corresponding results of the parquet approximation (PA) in the weak- to intermediate-coupling regime. Small oscillations of the mfRG solution as a func…
KeldyshQFT: A C++ codebase for real-frequency multiloop functional renormalization group and parquet computations of the single-impurity Anderson model
The pseudofermion functional renormalization group (pffRG) is a computational method for determining zero-temperature phase diagrams of frustrated quantum magnets. In a recent methodological advance, the commonly employed Katanin truncation of the flow equations was extended to include multiloop corrections, thereby capturing additional contributions from the three-particle vertex [ arXiv:2011.01268 , arXiv:2011.01269 ]. This development has also stimulated significant progress in the numerical implementation of pffRG, allowing one to track the evolution of pseudofermion vertices under the ren…
The recently introduced single-boson exchange (SBE) decomposition of the four-point vertex of interacting fermionic many-body systems is a conceptually and computationally appealing parametrization of the vertex. It relies on the notion of reducibility of vertex diagrams with respect to the bare interaction $U$, instead of a classification based on two-particle reducibility within the widely-used parquet decomposition. Here, we re-derive the SBE decomposition in a generalized framework (suitable for extensions to, e.g., inhomogeneous systems or real-frequency treatments) following from the par…
Using the recently introduced multiloop extension of the functional renormalization group, we compute the frequency- and momentum-dependent self-energy of the two-dimensional Hubbard model at half filling and weak coupling. We show that, in the truncated-unity approach for the vertex, it is essential to adopt the Schwinger-Dyson form of the self-energy flow equation in order to capture the pseudogap opening. We provide an analytic understanding of the key role played by the flow scheme in correctly accounting for the impact of the antiferromagnetic fluctuations. For the resulting pseudogap, we…
We exploit the parquet formalism to derive exact flow equations for the two-particle-reducible four-point vertices, the self-energy, and typical response functions, circumventing the reliance on higher-point vertices. This includes a concise, algebraic derivation of the multiloop flow equations, which have previously been obtained by diagrammatic considerations. Integrating the multiloop flow for a given input of the totally irreducible vertex is equivalent to solving the parquet equations with that input. Hence, one can tune systems from solvable limits to complicated situations by variation …
We investigate the functional renormalization group (FRG) flow of the two-particle vertex function of a model for X-ray absorption in metals. Concerning the appearance of logarithmic divergences, the model is prototypical for an important class of mostly zero- and one-dimensional systems which includes the Kondo model and the interacting one-dimensional Fermi gas. For our analysis we formulate the FRG in the framework of the real-time zero-temperature formalism, in which the model was studied before with a parquet-based approach. We establish that a reasonably crafted, purely-fermionic one-loo…
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 momen…
We show that the N-patch functional renormalization group (pFRG), a theoretical method commonly applied for correlated electron systems, is unable to implement consistently the matrix element interference arising from strong momentum dependence in the Bloch state contents or the interaction vertices. We show that such a deficit could lead to results incompatible with checkable limits of weak and strong coupling. We propose that the pFRG could be improved by a better account of momentum conservation.
Although the functional renormalization group (fRG) is by now a well-established method for investigating correlated electron systems, it is still undergoing significant technical and conceptual improvements. In particular, the motivation to optimally exploit the parallelism of modern computing platforms has recently led to the development of the "truncated-unity" functional renormalization group (TU-fRG). Here, we review this fRG variant, and we provide its extension to multiband systems with spin-orbit coupling. Furthermore, we discuss some aspects of the implementation and outline opportuni…
We analyze a variety of integration schemes for the momentum space functional renormalization group calculation with the goal of finding an optimized scheme. Using the square lattice $t-t'$ Hubbard model as a testbed we define and benchmark the quality. Most notably we define an error estimate of the solution for the ordinary differential equation circumventing the issues introduced by the divergences at the end of the FRG flow. Using this measure to control for accuracy we find a threefold reduction in number of required integration steps achievable by choice of integrator. We herewith publis…
We investigate dimerized quantum spin systems using the spin functional renormalization group approach proposed by Krieg and Kopietz [Phys. Rev. B 99, 060403(R) (2019)] which directly focuses on the physical spin correlation functions and avoids the representation of the spins in terms of fermionic or bosonic auxiliary operators. Starting from decoupled dimers as initial condition for the renormalization group flow equations, we obtain the spectrum of the triplet excitations as well as the magnetization in the quantum paramagnetic, ferromagnetic, and thermally disordered phases at all temperat…
We introduce approximate, functional renormalization group based schemes to obtain correlation functions in pure excited eigenstates of large fermionic many-body systems at arbitrary energies. The algorithms are thouroughly benchmarked and their strengths and shortcomings are documented using a one-dimensional interacting tight-binding chain as a prototypical testbed. We study two `toy applications' from the world of Luttinger liquid physics: the survival of power laws in lowly-excited states as well as the spectral function of high-energy `block' excitations which feature several single-parti…
BosonFlow: A C++ codebase for dynamic fRG and single-boson exchange in correlated fermion systems
Ruhr-University Bochum（波鸿鲁尔大学）；Max-Planck-Institut für Festkörperforschung（马克斯·普朗克固体研究所）；Vienna University of Technology（维也纳工业大学）；Universität Tübingen（蒂宾根大学）
Functional renormalization group approach to the singlet-triplet transition in quantum dots
利用泛函重整化群方法研究了具有两个不同轨道的量子点在Hund耦合作用下的零偏压输运性质。通过调节轨道态的能量分离，量子点可以被驱动通过单重态-三重态跃迁。我们的方法，Karrasch { \em et al}的方法的基础上，我们适用于自旋相关的相互作用，恢复的量子点输运性质的关键特性，很少的数值工作。我们目前的结果在附近的过渡和比较我们的结果与以前的数值重整化群的结果和预测的微扰重整化群的电导。
We devise a functional renormalization group treatment for a chain of interacting spinless fermions which is correct up to second order in the interaction strength. We treat both inhomogeneous systems in real-space as well as the translational invariant case in a k-space formalism. The strengths and shortcomings of the different schemes as well as technical details of their implementation are discussed. We use the method to study two proof-of-principle problems in the realm of Luttinger liquid physics, namely reflection at interfaces and power laws in the occupation number as a function of cry…
Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional renormalization group and the Kohn-Sham scheme in density functional theory. The key idea is to solve the renormalization group flow for the effective action decomposed into the mean-field part and the correlation part. Also, we propose a simple practical method to quantify the uncertainty associated with the truncation of the correlation part. By …
We show an application of the functional-renormalization-group aided density functional theory to the homogeneous electron gas with arbitrary spin polarization, which gives the energy density functional in the local spin density approximation. The correlation energy per particle is calculated at arbitrary Wigner-Seitz radius $ r_{\rm s} $ and spin polarization $ ζ$. In the high-density region, our result shows good agreement with Monte Carlo (MC) data. The agreement with MC data is better in the case of small spin polarization, while the discrepancy increases as the spin polarization increases…
The functional-renormalization-group aided density-functional theory (FRG-DFT) is applied to the two-dimensional homogeneous electron gas (2DHEG). The correlation energy of the 2DHEG is derived as a function of the Wigner-Seitz radius $ r_{\rm s} $ directly. We find that our correlation energy completely reproduces the exact behavior at the high-density limit. For finite density, the result of FRG-DFT shows good agreement with the Monte Carlo (MC) results in the high-density region, although the discrepancy between FRG-DFT and MC results becomes larger as the system becomes more dilute. Our st…
We present the SpinParser open-source software [ https://github.com/fbuessen/SpinParser ]. The software is designed to perform pseudofermion functional renormalization group (pf-FRG) calculations for frustrated quantum magnets in two and three spatial dimensions. It aims to make such calculations readily accessible without the need to write specialized program code; instead, custom lattice graphs and microscopic spin models can be defined as plain-text input files. Underlying symmetries of the model are automatically analyzed and exploited by the numerical core written in C++ in order to optim…
We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce the exact behavior at high density and agree with the Monte-Carlo data in a wide range of densities. Our analytic technique enables us to get the correlation energies efficiently for various densities, which realizes the determination of EDF in the local density approximation (LDA) without any fitting for physically relevant densities. Applied to the Kohn-Sha…
