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Anna Kauch

Publications and source records attributed to Anna Kauch.

At least 19 recordsLinked to original sources

Instabilities in self-consistent diagrammatic approaches and how to cure them

While self-consistent diagrammatic approaches are widely used to compute the physical properties of correlated quantum materials, their applicability may get severely hindered precisely in the parameter regions, where the most exciting physics is observed. One of the major issues, referred to as "misleading convergence", is the tendency of iterative schemes to converge to unphysical fixed points for intermediate-to-strong electronic interactions, regardless of numerical accuracy of the computation. Here, we explicitly verify that the origin of this problem in several established self-consistent many-electron approaches, defined in the general diagrammatic framework of the boson-exchange formalism, resides exclusively in the stability condition of the respective iteration schemes, and not in an intrinsic breakdown of their self-consistent diagrammatic description. This insight enables a simple and general remedy, as recently proposed in Phys. Rev. Lett. 137, 016502 (2026): The redefinition of the iterative procedure, by inverting the unstable eigendirections of the Jacobian associated to the fixed point of the self-consistent algorithm. We illustrate the successful outcome of this procedure by means of systematic calculations performed on testbed, exactly solvable, models. Our results demonstrate that the physical fixed point of the diagrammatic schemes we considered can be stabilized, de facto, across the entire parameter range, including the most challenging nonperturbative/strong-coupling regimes.

cond-mat.str-el

Stabilizing the parquet problem

We systematically analyze the stability of the iterative solution of the parquet equations by studying the spectrum of the Jacobian associated with the commonly used damped fixed-point iteration procedure. In this context, we provide an explicit criterion that determines when the physical fixed point of the parquet iteration becomes unstable. Importantly, we demonstrate that misleading convergence issues, observed in parquet calculation at intermediate-to-high interaction values, are not restricted to parameter regions where the two-particle irreducible vertex diverges, but can also arise in absence of vertex divergences. Hence, the misleading convergence issues of parquet-based algorithms are not directly caused by the crossings of two solutions of the (multivalued) Luttinger-Ward functional, that are associated with vertex divergences. Building on these insights, we introduce a controlled stabilization strategy that allows the convergence to the physical solution in the instability regimes. We apply this procedure to the zero-point model and the Hubbard model in the atomic limit, where we successfully stabilize the physical solution deep in the non-perturbative regime, even across multiple divergence lines.

cond-mat.str-el

Emergence of spin entanglement with the pseudogap onset in the Fermi-Hubbard model

Despite decades of intense theoretical and experimental investigation, the two-dimensional Fermi-Hubbard model still resists a complete microscopic understanding. Conventional approaches typically probe global observables and locally resolved correlation functions. Here, we develop a complementary perspective based on the measurement of entanglement. Using both an ultracold-atom quantum simulator and numerical simulations based on the dynamical vertex approximation, we find that entanglement is closely tied to the onset of the enigmatic pseudogap regime: spin-singlet entanglement emerges only as the pseudogap sets in and, in contrast to classical correlations, remains confined to nearest-neighbour sites in this regime. Our results, therefore, disfavour purely classical-fluctuation theories of the pseudogap and constrain microscopic models to those that develop nearest-neighbour spin-singlet entanglement at the pseudogap onset.

cond-mat.str-el

Adaptive Patching for Tensor Train Computations

Quantics Tensor Train (QTT) operations such as matrix product operator contractions are prohibitively expensive for large bond dimensions. We propose an adaptive patching scheme that exploits block-sparse QTT structures to reduce costs through divide-and-conquer, adaptively partitioning tensors into smaller patches with reduced bond dimensions. We demonstrate substantial improvements for sharply localized functions and show efficient computation of bubble diagrams and Bethe-Salpeter equations, opening the door to practical large-scale QTT-based computations previously beyond reach.

physics.comp-ph

Multiloop functional renormalization group from single bosons

The functional renormalization group (fRG) is an established tool in the treatment of correlated electron systems, notably for the description of competing instabilities. In recent years, methodological advancements led to the multiloop extension of the fRG, which systematically includes loop corrections beyond the conventional one-loop truncation and yields a quantitatively accurate description of two-dimensional lattice systems. At the same time, the single-boson exchange (SBE) decomposition of the two-particle vertex has been shown to offer both computational and interpretative advantages paving the way to more affordable approximation schemes. We here apply their combination coined as multiloop SBE fRG to the two-dimensional Hubbard model at weak coupling. After providing a detailed account of the underlying formalism in physical channels, we analyze the results for the frequency- and momentum-dependent vertex functions. We find that the SBE approximation, i.e., neglecting the flow of the multi-boson exchange contributions, accurately reproduces the parquet approximation at loop convergence. The presented algorithmic improvement opens the route for the treatment of more challenging parameter regimes and more realistic models.

cond-mat.str-el

A causality-based divide-and-conquer algorithm for nonequilibrium Green's function calculations with quantics tensor trains

We propose a causality-based divide-and-conquer algorithm for nonequilibrium Green's function calculations with quantics tensor trains. This algorithm enables stable and efficient extensions of the simulated time domain by exploiting the causality of Green's functions. We apply this approach within the framework of nonequilibrium dynamical mean-field theory to the simulation of quench dynamics in symmetry-broken phases, where long-time simulations are often required to capture slow relaxation dynamics. We demonstrate that our algorithm allows to extend the simulated time domain without a significant increase in the cost of storing the Green's function.

cond-mat.str-el

Entanglement across scales: Quantics tensor trains as a natural framework for renormalization

Understanding entanglement remains one of the most intriguing problems in physics. While particle and site entanglement have been studied extensively, the investigation of length or energy scale entanglement, quantifying the information exchange between different length scales, has received far less attention. Here, we identify the quantics tensor train (QTT) technique, a matrix product state-inspired approach for overcoming computational bottlenecks in resource-intensive numerical calculations, as a renormalization group method by analytically expressing an exact cyclic reduction-based real-space renormalization scheme in QTT language, which serves as a natural formalism for the method. In doing so, we precisely match the QTT bond dimension, a measure of length scale entanglement, to the number of rescaled couplings generated in each coarse-graining renormalization step. While QTTs have so far been applied almost exclusively to numerical problems in physics, our analytical calculations demonstrate that they are also powerful tools for mitigating computational costs in semi-analytical treatments. We present our results for the one-dimensional tight-binding model with n-th-nearest-neighbor hopping, where the 2n rescaled couplings generated in the renormalization procedure precisely match the QTT bond dimension of the one-particle Green's function.

cond-mat.str-el

Diagnosing phase transitions through time-scale entanglement

Spatial entanglement of quantum states has become a central paradigm of many-body physics. Here, we unearth a fundamentally different form of entanglement, the entanglement between imaginary time scales. This time-scale entanglement is accessible through quantics tensor train diagnostics (QTTD), where the bond dimension of an $n$-particle correlator encodes the coupling between temporal scales. Our central result is that time-scale entanglement is generically enhanced in the vicinity of phase transitions and crossovers. At quantum critical points, it becomes scale-invariant. We demonstrate time-scale entanglement across a range of systems, including finite-size Hubbard rings, the transverse-field Ising model, the single-impurity Anderson model, and the Mott transition in the Hubbard model. Remarkably, the enhanced time-scale entanglement is largely independent of the specific observable, establishing QTTD as a universal and unbiased diagnostic of criticality.

cond-mat.str-el

Two-site entanglement in the two-dimensional Hubbard model

The study of entanglement in strongly correlated electron systems typically requires knowledge of the reduced density matrix. Here, we apply the parquet dynamical vertex approximation to study the two-site reduced density matrix at varying distance, in the Hubbard model at weak coupling. This allows us to investigate the spatial structure of entanglement in dependence of interaction strength, electron filling, and temperature. We compare results from different entanglement measures, and benchmark against quantum Monte Carlo.

cond-mat.str-el

Entanglement in the pseudogap regime of cuprate superconductors

We find a strongly enhanced entanglement within the pseudogap regime of the Hubbard model. This entanglement is estimated from the quantum Fisher information and, avoiding the ill-conditioned analytical continuation, the quantum variance. Both are lower bounds for the actual entanglement that can be calculated from the (antiferromagnetic) susceptibility, obtained here with the dynamical vertex approximation. Our results qualitatively agree with experimental neutron scattering experiments for various cuprates. Theory predicts a $\ln(1/T)$ divergence of the entanglement for low temperatures $T$, which is however cut-off by the onset of superconductivity.

cond-mat.str-el

Ladder equation for the three-particle vertex and its approximate solution

We generalize the three two-particle Bethe-Salpeter equations to ten three-particle ladders. These equations are exact and yield the exact three-particle vertex, if we knew the three-particle vertex irreducible in one of the ten channels. However, as we do not have this three-particle irreducible vertex at hand, we approximate this building block for the ladder by the sum of two-particle irreducible vertices each connecting two fermionic lines. The comparison to the exact solution shows that this approximation is only good for rather weak interactions and even than only qualitatively - at least for the non-linear response function analyzed.

cond-mat.other

Two-particle calculations with quantics tensor trains: Solving the parquet equations

We present the first application of quantics tensor trains (QTTs) and tensor cross interpolation (TCI) to the solution of a full set of self-consistent equations for multivariate functions, the so-called parquet equations. We show that the steps needed to evaluate the equations (Bethe--Salpeter equations, parquet equation and Schwinger--Dyson equation) can be decomposed into basic operations on the QTT-TCI (QTCI) compressed objects. The repeated application of these operations does not lead to a loss of accuracy beyond a specified tolerance and the iterative scheme converges even for numerically demanding parameters. As examples we take the Hubbard model in the atomic limit and the single impurity Anderson model, where the basic objects in parquet equations, the two-particle vertices, depend on three frequencies, but not on momenta. The results show that this approach is able to overcome major computational bottlenecks of standard numerical methods. The applied methods allow for an exponential increase of the number of grid points included in the calculations leading to an exponentially improving computational error for a linear increase in computational cost.

cond-mat.str-el

Analytical expression for $\pi$-ton vertex contributions to the optical conductivity

Vertex corrections from the transversal particle-hole channel, so-called $\pi$-tons, are generic in models for strongly correlated electron systems and can lead to a displaced Drude peak (DDP). Here, we derive the analytical expression for these $\pi$-tons, and how they affect the optical conductivity as a function of correlation length $\xi$, fermion lifetime $\tau$, temperature $T$, and coupling strength to spin or charge fluctuations $g$. In particular, for $T\rightarrow T_c$, the critical temperature for antiferromagnetic or charge ordering, the dc vertex correction is algebraic $\sigma_{VERT}^{dc}\propto \xi \sim (T-T_c)^{-\nu}$ in one dimension and logarithmic $\sigma_{VERT}^{dc}\propto \ln\xi \sim \nu \ln (T-T_c)$ in two dimensions. Here, $\nu$ is the critical exponent for the correlation length. If we have the exponential scaling $\xi \sim e^{1/T}$ of an ideal two-dimensional system, the DDP becomes more pronounced with increasing $T$ but fades away at low temperatures where only a broadening of the Drude peak remains, as it is observed experimentally, with the dc resistivity exhibiting a linear $T$ dependence at low temperatures. Further, we find the maximum of the DPP to be given by the inverse lifetime: $\omega_{DDP} \sim 1/\tau$. These characteristic dependencies can guide experiments to evidence $\pi$-tons in actual materials.

cond-mat.str-el

Two-site reduced density matrix from one- and two-particle Green's functions

Strongly correlated electron systems are challenging to calculate, and entanglement in such systems is not widely analyzed. We present an approach that can be used as a post-processing step for calculating the two-site reduced density matrix and from it entanglement measures such as the mutual information and entanglement negativity. Input is only the one- and two-particle Green's function which is the output of numerous many-body methods. As an illustration, we present results for a toy model, the Hubbard model on a $2\times2$ cluster and a $6$ site ring.

cond-mat.str-el

A functional-analysis derivation of the parquet equation

The parquet equation is an exact field-theoretic equation known since the 60s that underlies numerous approximations to solve strongly correlated Fermion systems. Its derivation previously relied on combinatorial arguments classifying all diagrams of the two-particle Green's function in terms of their (ir)reducibility properties. In this work we provide a derivation of the parquet equation solely employing techniques of functional analysis namely functional Legendre transformations and functional derivatives. The advantage of a derivation in terms of a straightforward calculation is twofold: (i) the quantities appearing in the calculation have a clear mathematical definition and interpretation as derivatives of the Luttinger--Ward functional; (ii) analogous calculations to the ones that lead to the parquet equation may be performed for higher-order Green's functions potentially leading to a classification of these in terms of their (ir)reducible components.

cond-mat.str-el

Multiscale space-time ansatz for correlation functions of quantum systems based on quantics tensor trains

Correlation functions of quantum systems -- central objects in quantum field theories -- are defined in high-dimensional space-time domains. Their numerical treatment thus suffers from the curse of dimensionality, which hinders the application of sophisticated many-body theories to interesting problems. Here, we propose a multi-scale space-time ansatz for correlation functions of quantum systems based on quantics tensor trains (QTT), ``qubits'' describing exponentially different length scales. The ansatz then assumes a separation of length scales by decomposing the resulting high-dimensional tensors into tensor trains (known also as matrix product states). We numerically verify the ansatz for various equilibrium and nonequilibrium systems and demonstrate compression rates of several orders of magnitude for challenging cases. Essential building blocks of diagrammatic equations, such as convolutions or Fourier transforms are formulated in the compressed form. We numerically demonstrate the stability and efficiency of the proposed methods for the Dyson and Bethe-Salpeter equations. {The QTT representation} provides a unified framework for implementing efficient computations of quantum field theories.

cond-mat.str-el

Photoexcitations in the Hubbard model -- generalized Loschmidt amplitude analysis of impact ionization in small clusters

We study photoexcitations in small Hubbard clusters of up to 12 sites, some of which show an increase of the double occupation after the electric field pulse through impact ionization. Here, the time-dependent electromagnetic field is introduced through a Peierls substitution and the time evolution is calculated by exact diagonalization with commutator-free Magnus integrators. As a tool to better analyze the out-of-equilibrium dynamics, we generalize the Loschmidt amplitude. This way, we are able to resolve which many-body energy eigenstates are responsible for impact ionization and which show pronounced changes in the double occupation and spin energy. This analysis reveals that the loss of spin energy is of little importance for impact ionization. We further demonstrate that, for one-dimensional chains, the optical conductivity has a characteristic peak structure originating solely from vertex corrections.

cond-mat.str-el

Interplay between magnetic and superconducting fluctuations in the doped 2d Hubbard model

We study the Hubbard model on a square lattice, using the dynamical vertex approximation and the parquet approximation. These methods allow us to describe the mutual interference of spin-fluctuations in the particle-hole channel and superconducting fluctuations in the cooperon channel in an unbiased way. For small dopings we find predominant commensurable antiferromagnetic spin- and d-wave superconducting fluctuations; for larger doping incommensurate antiferromagnetic spin fluctuations are concomitant to triplet s-wave superconducting fluctuations.

cond-mat.str-el