High-performance functional renormalization group calculations for interacting fermions

We derive a novel computational scheme for functional Renormalization Group (fRG) calculations for interacting fermions on 2D lattices. The scheme is based on the exchange parametrization fRG for the two-fermion interaction, with additional insertions of truncated partitions of unity. These insertions decouple the fermionic propagators from the exchange propagators and lead to a separation of the underlying equations. We demonstrate that this separation is numerically advantageous and may pave the way for refined, large-scale computational investigations even in the case of complex multiband systems. Furthermore, on the basis of speedup data gained from our implementation, it is shown that this new variant facilitates efficient calculations on a large number of multi-core CPUs. We apply the scheme to the $t$,$t'$ Hubbard model on a square lattice to analyze the convergence of the results with the bond length of the truncation of the partition of unity. In most parameter areas, a fast convergence can be observed. Finally, we compare to previous results in order to relate our approach to other fRG studies.Comment: 26 pages, 9 figure

Truncated unity functional renormalization group for multiband systems with spin-orbit coupling

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 opportunities and challenges ahead for predicting the ground-state ordering and emergent energy scales for a wide class of quantum materials.Comment: consistent with published version in Frontiers in Physics (2018

Entangled magnetic, charge, and superconducting pairing correlations in the two-dimensional Hubbard model: a functional renormalization-group analysis

Using the recently introduced multiloop extension of the functional renormalization group, we compute the magnetic, density, and superconducting susceptibilities of the two-dimensional Hubbard model at weak coupling and present a detailed analysis of their evolution with temperature, interaction strength, and loop order. By breaking down the susceptibilities into contributions from the bare susceptibility and the individual channels, we investigate their relative importance as well as the channel interplay. In particular, we trace the influence of antiferromagnetic fluctuations on the $d$-wave superconductivity and provide an analytical understanding for the observed behavior.Comment: 31 pages, 19 figure

Renormalization group approaches to strongly correlated electron systems

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