arXiv subjects

Aaram J. Kim

Publications and source records attributed to Aaram J. Kim.

At least 19 recordsLinked to original sources

arXiv2026

Quantics tensor cross interpolation for high-order strong-coupling expansions

Real-time impurity solvers enable the study of transport phenomena and the description of nonequilibrium lattice systems within the framework of dynamical mean-field theory (DMFT). They also provide direct access to the spectral functions of both equilibrium and nonequilibrium systems. A widely used approach is the self-consistent strong-coupling expansion, whose lowest-order implementation corresponds to the non-crossing approximation. Higher-order implementations, however, are computationally demanding because the number of diagram topologies grows factorially with expansion order, while the evaluation of self-energies and Green's functions requires increasingly high-dimensional integrations. Here, we demonstrate that the latter challenge can be mitigated by employing quantics tensor cross interpolation in a variable-separated framework. Compared with the previously used scale-separated approach, the new scheme yields substantially lower bond dimensions and capacitates self-consistent steady-state DMFT calculations up to fourth order. We illustrate its performance with representative results for both equilibrium and photo-doped systems. In addition, we analyze the convergence of the strong-coupling expansion in the challenging noninteracting limit by computing diagrams up to sixth order. At this order, the onset of the asymptotic regime of the strong-coupling expansion becomes apparent, which allows the application of extrapolation techniques.

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arXiv2026

$η$-pairing in metallic and particle-hole asymmetric systems

Light-induced superconducting-like states have been reported in several classes of correlated materials. From a theoretical point of view, the induction of $η$-pairing is a promising route to nonthermal superconductivity. Numerical studies of photo-doped Mott systems revealed $η$-pairing states with very high effective critical temperatures. These investigations were however restricted to particle-hole symmetric states in large-gap Mott insulators, while the experiments were performed on strongly correlated metallic systems. It is thus relevant to explore if $η$-pairing also exists in non-particle-hole symmetric setups and in photo-excited metallic states. Here we use steady-state nonequilibrium dynamical mean field theory combined with a strong-coupling impurity solver up to third order to investigate this issue. We find that in the strongly correlated regime with large Mott gap, and for low effective doublon and holon temperatures, $η$-pairing is robust against changes in the total filling and an imbalance in the doublon and holon density. An asymmetry in the effective doublon and holon temperatures can however strongly suppress the order parameter. In photo-doped metallic systems with a three-peak structure in the local density of states, $η$-pairing can be realized in set-ups with positive doublon and holon temperatures and a population inversion in the low-energy quasi-particle band.

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arXiv2026

High-temperature $η$-pairing superconductivity in the photodoped Hubbard model

We investigate superconductivity emerging in the photodoped Mott insulating Hubbard model using steady-state dynamical mean-field theory implemented on the real-frequency axis. By employing high-order strong-coupling impurity solvers, we obtain the nonequilibrium phase diagram for photoinduced $η$-pairing superconductivity with a remarkably high effective critical temperature. We further identify a superconducting gap in the momentum-resolved spectral function and optical conductivity, providing spectroscopic signatures accessible to experiments. Our results highlight a route to a controllable form of high-temperature superconductivity in nonequilibrium strongly correlated systems, fundamentally distinct from the equilibrium $s$-wave pairing state in the attractive Hubbard model or cuprate-like $d$-wave superconductors.

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arXiv2025

Third-order strong-coupling impurity solver for real-frequency DMFT: Accurate spectral functions for antiferromagnetic and photo-doped states

We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT) calculations of the single-band Hubbard model on the Bethe lattice, we clarify the interaction and temperature range in which the third-order approach yields accurate results. Since the calculations are implemented on the real-time/frequency axis, the detailed structure of spectral functions can be obtained without analytical continuation, as we demonstrate with examples for paramagnetic, antiferromagnetic and photo-doped states. Our work establishes a viable path toward high-order, real-frequency impurity solvers for both equilibrium and non-equilibrium DMFT studies.

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arXiv2025

Strange diffusivity of incoherent metal in half-filled two-dimensional Hubbard model

We study charge transport across the metal-insulator crossover in the half-filled two-dimensional Hubbard model, with particular emphasis on precision control. The dynamic current-current correlation function is obtained directly in the thermodynamic limit, and the optical conductivity is extracted using numerical analytic continuation. To achieve this, we develop a multiscale approach: the non-perturbative low-frequency behavior is computed using the unbiased diagrammatic Monte Carlo technique, while the high-frequency physics is captured via a self-consistent (semi-)analytic diagrammatic theory. We found that across a broad temperature range where the DC resistivity displays anomalous scaling, $\sim T^α$ with $0<α\lesssim 1$, the Nernst-Einstein relation implies the diffusion constant with the characteristic $\sim 1/\sqrt{T}$ "strange metal" behavior. It was also revealed that the insulating regime is entered through a peculiar non-Fermi liquid state-which we call a Pseudogap Metal-characterized by insulating charge compressibility coexisting with metallic transport. Diagrammatically, the high-temperature incoherent transport is captured by the dressed polarization bubble, whereas near the metal-insulator crossover, the effective interaction vertex between opposite-spin particles is responsible for transferring the Drude weight to a high-frequency continuum.

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arXiv2025

Strong coupling impurity solver based on quantics tensor cross interpolation

Numerical methods capable of handling nonequilibrium impurity models are essential for the study of transport problems and the solution of the nonequilibrium dynamical mean field theory (DMFT) equations. In the strong correlation regime, the self-consistently resummed hybridization expansion is an appealing strategy, which however has been employed so far mainly in the lowest-order noncrossing approximation. At higher orders, standard implementations become numerically costly, but a significant speed-up can be achieved by evaluating multidimensional integrals in an approximate factorized form. Here we develop a one-crossing approximation solver based on the recently introduced quantics tensor cross interpolation, and demonstrate its accuracy and efficiency with applications to the Anderson impurity model and nonequilibrium steady-state DMFT calculations for the Hubbard model.

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arXiv2023

Twisted chiral superconductivity in photodoped frustrated Mott insulators

Recent advances in ultrafast pump-probe spectroscopy provide access to hidden phases of correlated matter, including light-induced superconducting states, but the theoretical understanding of these nonequilibrium phases remains limited. Here we report how a new type of chiral superconducting phase can be stabilized in photodoped frustrated Mott insulators. The metastable phase features a spatially varying order parameter with a $120^\circ$ phase twist which breaks both time-reversal and inversion symmetry. Under an external electric pulse, the $120^\circ$ chiral superconducting state can exhibit a second-order supercurrent perpendicular to the field in addition to a first-order parallel response, similar to a nonlinear anomalous Hall effect. This phase can be tuned by artificial gauge fields when the system is dressed by high-frequency periodic driving. The mechanism revealed in this study applies to Mott insulators on various frustrated lattices and the hidden superconducting phase can be realized in both cold-atom quantum simulators and correlated solids.

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arXiv2022

Misleading convergence of the skeleton diagrammatic technique: when the correct solution can be found

Convergence of the self-consistent skeleton diagrammatic technique (SDT) -- in which the full Green's function is determined through summation of Feynman diagrams in terms of itself -- to the wrong answer has been associated with the existence of non-perturbative branches of the Luttinger-Ward functional. Although it has been possible to detect misleading convergence without the knowledge of the exact result, the SDT has remained inapplicable in the regimes where this happens. We show that misleading convergence does not always preclude recovering the exact solution. In addition to the established mechanism, convergence of the SDT to the wrong answer can stem from divergence of the inherent diagrammatic series, which allows us to recover the exact solution by a modified SDT protocol based on controlled analytic continuation. We illustrate this approach by its application to the analytically solvable (0+0)d Hubbard model, the Hubbard atom, and the 2d Hubbard model in a challenging strong-coupling regime, for which the SDT is solved with controlled accuracy by the diagrammatic Monte Carlo (DiagMC) technique.

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arXiv2022

Pseudoparticle vertex solver for quantum impurity models

We present a quantum impurity solver based on a pseudo-particle framework, which combines diagrammatic resummations for a three-point vertex with diagrammatic Monte Carlo sampling of a four-point vertex. This recently proposed approach [A. J. Kim et al., arXiv:2112.15549] is generalized here to fermionic impurity problems and we discuss the technical details of the implementation, including the time-stepping approach, the Monte Carlo updates, and the routines for checking the two-particle irreducibility of the four-point vertex. We also explain how the vertex information can be efficiently stored using a Dubiner basis representation. The convergence properties of the algorithm are demonstrated with applications to exactly solvable impurity models and dynamical mean field theory simulations of the single-orbital Hubbard model. It is furthermore shown that the algorithm can handle a two-orbital problem with off-diagonal hybridizations, which would cause a severe sign problem in standard hybridization-expansion Monte Carlo simulations. Since the vertex-based algorithm successfully handles sign oscillating integrals in equilibrium and samples only connected diagrams, it may be a promising approach for real-time simulations.

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arXiv2021

Vertex-based Diagrammatic Treatment of Light-Matter-Coupled Systems

We propose a diagrammatic Monte Carlo approach for general spin-boson models, which can be regarded as a generalization of the strong-coupling expansion for fermionic impurity models. The algorithm is based on a self-consistently computed three-point vertex and a stochastically sampled four-point vertex, and achieves convergence to the numerically exact result in a wide parameter regime. The performance of the algorithm is demonstrated with applications to a spin-boson model representing an emitter in a waveguide. As a function of the coupling strength, the spin exhibits a delocalization-localization crossover at low temperatures, signaling a qualitative change in the real-time relaxation. In certain parameter regimes, the response functions of the emitter coupled to the electromagnetic continuum can be described by an effective Rabi model with appropriately defined parameters. We also discuss the spatial distribution of the photon density around the emitter.

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arXiv2021

Evaluating second-order phase transitions with Diagrammatic Monte Carlo: Néel Transition in the doped three-dimensional Hubbard model

Diagrammatic Monte Carlo -- the technique for numerically exact summation of all Feynman diagrams to high orders -- offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the diagrammatic series is bound to diverge and is not resummable at the transition due to the non-analyticity of physical observables. This enables the detection of the transition with controlled error bars from an analysis of the series coefficients alone, avoiding the challenge of evaluating physical observables near the transition. We demonstrate this technique by the example of the Néel transition in the $3d$ Hubbard model. At half-filling and higher temperatures, the method matches the accuracy of state-of-the-art finite-size techniques, but surpasses it at low temperatures and allows us to map the phase diagram in the doped regime, where finite-size techniques struggle from the fermion sign problem. At low temperatures and sufficient doping, the transition to an incommensurate spin density wave state is observed.

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arXiv2021

Homotopic Action: A Pathway to Convergent Diagrammatic Theories

The major obstacle preventing Feynman diagrammatic expansions from accurately solving many-fermion systems in strongly correlated regimes is the series slow convergence or divergence problem. Several techniques have been proposed to address this issue: series resummation by conformal mapping, changing the nature of the starting point of the expansion by shifted action tools, and applying the homotopy analysis method to the Dyson-Schwinger equation. They emerge as dissimilar mathematical procedures aimed at different aspects of the problem. The proposed homotopic action offers a universal and systematic framework for unifying the existing -- and generating new -- methods and ideas to formulate a physical system in terms of a convergent diagrammatic series. It eliminates the need for resummation, allows one to introduce effective interactions, enables a controlled ultraviolet regularization of continuous-space theories, and reduces the intrinsic polynomial complexity of the diagrammatic Monte Carlo method. We illustrate this approach by an application to the Hubbard model.

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arXiv2021

Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model

The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations. Using the two-dimensional half-filled Hubbard model at weak coupling as a testing ground, we perform a comparative study of a comprehensive set of state of the art quantum many-body methods. Upon cooling into its insulating antiferromagnetic ground-state, the model hosts a rich sequence of distinct physical regimes with crossovers between a high-temperature incoherent regime, an intermediate temperature metallic regime and a low-temperature insulating regime with a pseudogap created by antiferromagnetic fluctuations. We assess the ability of each method to properly address these physical regimes and crossovers through the computation of several observables probing both quasiparticle properties and magnetic correlations, with two numerically exact methods (diagrammatic and determinantal quantum Monte Carlo) serving as a benchmark. By combining computational results and analytical insights, we elucidate the nature and role of spin fluctuations in each of these regimes. Based on this analysis, we explain how quasiparticles can coexist with increasingly long-range antiferromagnetic correlations, and why dynamical mean-field theory is found to provide a remarkably accurate approximation of local quantities in the metallic regime. We also critically discuss whether imaginary time methods are able to capture the non-Fermi liquid singularities of this fully nested system.

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arXiv2020

Entropy in the non-Fermi-liquid regime of the doped $2d$ Hubbard model

We study thermodynamic properties of the doped Hubbard model on the square lattice in the regime of strong charge and spin fluctuations at low temperatures near the metal-to-insulator crossover and obtain results with controlled accuracy using the diagrammatic Monte Carlo method directly in the thermodynamic limit. The behavior of the entropy reveals a non-Fermi-liquid state at sufficiently high interactions near half-filling: a maximum in the entropy at non-zero doping develops as the coupling strength is increased, along with an inflection point, evidencing a metal to non-Fermi-liquid crossover. The specific heat exhibits additional distinctive features of a non-Fermi-liquid state. Measurements of the entropy can therefore be used as a probe of the state of the system in quantum simulation experiments with ultracold atoms in optical lattices.

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arXiv2020

Strange Metal Solution in the Diagrammatic Theory for the $2d$ Hubbard Model

We show that the numerically exact bold-line diagrammatic theory for the $2d$ Hubbard model exhibits a non-Fermi-liquid (NFL) strange metal state, which is connected to the SYK NFL in the strong-interaction limit. The solution for the doped system features the expected phenomenology with the NFL near half-filling at strong couplings and in a wide temperature range enclosed by the atomic state at high temperatures and a Fermi liquid at low temperatures. We demonstrate, however, that this behavior in the weakly doped regime is due to the unphysical branch of the Luttinger-Ward functional. On the other hand, our analysis shows that the NFL physics is realized at larger doping.

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arXiv2020

Spin and charge correlations across the metal-to-insulator crossover in the half-filled $2d$ Hubbard model

The $2d$ Hubbard model with nearest-neighbour hopping on the square lattice and an average of one electron per site is known to undergo an extended crossover from metallic to insulating behavior driven by proliferating antiferromagnetic correlations. We study signatures of this crossover in spin and charge correlation functions and present results obtained with controlled accuracy using diagrammatic Monte Carlo in the range of parameters amenable to experimental verification with ultracold atoms in optical lattices. The qualitative changes in charge and spin correlations associated with the crossover are observed at well-separated temperature scales, which encase the intermediary regime of non-Fermi-liquid character, where local magnetic moments are formed and non-local fluctuations in both channels are essential.

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arXiv2020

Extended crossover from Fermi liquid to quasi-antiferromagnet in the half-filled 2D Hubbard model

The ground state of the Hubbard model with nearest-neighbor hopping on the square lattice at half filling is known to be that of an antiferromagnetic (AFM) band insulator for any on-site repulsion. At finite temperature, the absence of long-range order makes the question of how the interaction-driven insulator is realized nontrivial. We address this problem with controlled accuracy in the thermodynamic limit using self-energy diagrammatic determinant Monte Carlo and dynamical cluster approximation methods and show that development of long-range AFM correlations drives an extended crossover from Fermi liquid to insulating behavior in the parameter regime that precludes a metal-to-insulator transition. The intermediate crossover state is best described as a non-Fermi liquid with a partially gapped Fermi surface.

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arXiv2020

Alleviating the Sign Problem in Quantum Monte Carlo Simulations of Spin-Orbit-Coupled Multi-Orbital Hubbard Models

We present a strategy to alleviate the sign problem in continuous-time quantum Monte Carlo (CTQMC) simulations of the dynamical-mean-field-theory (DMFT) equations for the spin-orbit-coupled multiorbital Hubbard model. We first identify the combinations of rotationally invariant Hund coupling terms present in the relativistic basis which lead to a severe sign problem. Exploiting the fact that the average sign in CTQMC depends on the choice of single-particle basis, we propose a bonding-antibonding basis $V_{j3/2\mathrm{BA}}$ which shows an improved average sign compared to the widely used relativistic basis for most parameter sets investigated. We then generalize this procedure by introducing a stochastic optimization algorithm that exploits the space of single-particle bases and show that $V_{j3/2\mathrm{BA}}$ is very close to optimal within the parameter space investigated. Our findings enable more efficient DMFT simulations of materials with strong spin-orbit coupling.

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