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At least 91 records · Page 5

Machine learning to alleviate Hubbard-model sign problems

Lattice Monte Carlo calculations of interacting systems on nonbipartite lattices exhibit an oscillatory imaginary phase known as the phase or sign problem, even at zero chemical potential. One method to alleviate the sign problem is to analytically continue the integration region of the state variables into the complex plane via holomorphic flow equations. For asymptotically large flow times, the state variables approach manifolds of constant imaginary phase known as Lefschetz thimbles. Furthermore, flowing such variables and calculating the ensuing Jacobian is a computationally demanding procedure. In this paper, we demonstrate that neural networks can be trained to parametrize suitable manifolds for this class of sign problem and drastically reduce the computational cost for different severely afflicted small volume systems. In particular, we apply our method to the Hubbard model on the triangle and tetrahedron, both of which are nonbipartite. At strong interaction strengths and modest temperatures, the tetrahedron suffers from a severe sign problem that cannot be overcome with standard reweighting techniques, while it quickly yields to our method. We benchmark our results with exact calculations and comment on future directions of this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Broken Luttinger theorem in the two-dimensional Fermi-Hubbard model

One of the fundamental questions about high-temperature cuprate superconductors is the size of the Fermi surface underlying the superconducting state. By analyzing the single-particle spectral function for the Fermi-Hubbard model as a function of repulsion U and chemical potential μ, we find that the Fermi surface in the normal state undergoes a transition from a large Fermi surface matching the Luttinger volume as expected in a Fermi liquid, to a Fermi surface that encloses fewer electrons that we dub the “Luttinger breaking” phase, as the Mott insulator is approached. This transition into a non-Fermi-liquid phase that violates the Luttinger count occurs at a critical density in the absence of any other broken symmetry. We obtain the Fermi-surface contour from the spectral weight A k (ω = 0) and from an analysis of the singularities of the Green's function Re G k (E = 0), calculated using determinantal quantum Monte Carlo and analytic continuation methods. We discuss our numerical results in connection with experiments on Hall measurements, scanning tunneling spectroscopy, and angle-resolved photoemission spectroscopy.

36 MATERIALS SCIENCE↗

Magnon heat transport in a two-dimensional Mott insulator

Whether or not anomalies in the thermal conductivity in insulating cuprates can be attributed to antiferromagnetic order and magnons in a 2D Mott insulator remains an intriguing open question. To shed light on this issue, we investigate the thermal conductivity $\kappa$ and its relationship with the specific heat $c_v$ in the half-filled 2D single-band Hubbard model, using the numerically exact determinant quantum Monte Carlo algorithm and maximum entropy analytic continuation. At low temperatures where the charge degrees of freedom are gapped-out and $c_v$ exhibits a clear magnon peak, we observe that thermal conductivity $\kappa$ also tends to form a peak at similar temperatures. Reducing temperature further produces a sharp upturn in $\kappa$, associated with an increasing mean-free path. Here we identify this as the high-temperature side of the anomalous peak in insulating cuprates, where the mean-free path eventually is cut-off by other scattering effects, including phonons, disorder, and physical size. Different scattering effects in our model are identified and analyzed in the thermal diffusivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nonequilibrium DMFT + CPA for correlated disordered systems

We present a solution for the nonequilibrium dynamics of an interacting disordered system. The approach adapts the combination of the equilibrium dynamical mean-field theory and the equilibrium coherent potential approximation methods to the nonequilibrium many-body formalism, using the Kadanoff-Baym-Keldysh complex time contour, for the dynamics of interacting disordered systems away from equilibrium. We use our time domain solution to obtain the equilibrium density of states of the disordered interacting system described by the Anderson-Hubbard model, bypassing the necessity for the cumbersome analytical continuation process. We further apply the nonequilibrium solution to the interaction quench problem for an isolated disordered system. Here, the interaction is abruptly changed from zero (noninteracting system) to another constant (finite) value at which it is subsequently kept. We observe via the time dependence of the potential, kinetic, and total energies the effect of disorder on the relaxation of the system as a function of final interaction strength. Finally, the real-time approach has the potential to shed light on the fundamental role of disorder in the nonequilibrium dynamics of interacting quantum systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fully self-consistent finite-temperature $GW$ in Gaussian Bloch orbitals for solids

In this work, we present algorithmic and implementation details for the fully self-consistent finite-temperature $GW$ method in Gaussian Bloch orbitals for solids. Our implementation is based on the finite-temperature Green's function formalism in which all equations are solved on the imaginary axis, without resorting to analytical continuation during the self-consistency. No quasiparticle approximation is employed and all matrix elements of the self-energy are explicitly evaluated. The method is tested by evaluating the band gaps of selected semiconductors and insulators. We show agreement with other, differently formulated, finite-temperature sc ⁢$GW$ implementations when finite-size corrections and basis-set errors are taken into account. By migrating computationally intensive calculations to graphics processing units, we obtain scalable results on large supercomputers with nearly optimal performance. Our work demonstrates the applicability of Gaussian orbital based sc⁢ $GW$ for ab initio correlated material simulations and provides a sound starting point for embedding methods built on top of $GW$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Scattering using real-time path integrals

Background: Path integrals are a powerful tool for solving problems in quantum theory that are not amenable to a treatment by perturbation theory. Most path integral computations require an analytic continuation to imaginary time. While imaginary time treatments of scattering are possible, imaginary time is not a natural framework for treating scattering problems. More importantly, quantum algorithms for calculating path integrals require real-time evolution. Purpose: Here, we test a recently introduced method for performing direct calculations of scattering observables using real-time path integrals in order to understand the challenges facing real-time path integral calculations of scattering observables. Method: The computations are based on a new interpretation of the path integral as the expectation value of a potential functional on cylinder sets of continuous paths with respect to a complex probability distribution. The method can in principle be applied to arbitrary short-range potentials. Results: The method is applied to compute matrix elements of Møller wave operators applied to narrow wave packets. These are used to calculate half-shell sharp-momentum transition matrix elements for one-dimensional potential scattering. The calculations for half-shell transition operator matrix elements converge to the numerical solution of the Lippmann-Schwinger equation. Conclusions: This work presents a proof in principle that scattering observables can be computed using real-time Feynman path integrals. While the computational method is not efficient, it can be improved. It provides a laboratory for studying quantum computational algorithms that are applicable to scattering problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Euclidean formulation of relativistic quantum mechanics of N particles

A Euclidean formulation of relativistic quantum mechanics for systems of a finite number of degrees of freedom is discussed. Relativistic treatments of quantum theory are needed to study hadronic systems at subhadronic distance scales. While direct interaction approaches to relativistic quantum mechanics have proved to be useful, they have two disadvantages. One is that cluster properties are difficult to realize for systems of more than two particles. The second is that the relation to quantum field theories is indirect. Euclidean formulations of relativistic quantum mechanics provide an alternative representation that does not have these difficulties. More surprising, the theory can be formulated entirely in the Euclidean representation without the need for analytic continuation. In this work a Euclidean representation of a relativistic N-particle system is discussed. Kernels for systems of N free particles of any spin are given and shown to be reflection positive. Explicit formulas for generators of the Poincaré group for any spin are constructed and shown to be self-adjoint on the Euclidean representation of the Hilbert space. The structure of correlations that preserve both the Euclidean covariance and reflection positivity is discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Three-body resonances in pionless effective field theory

We investigate the appearance of resonances in three-body systems using pionless effective field theory at leading order with two complementary methods. The Faddeev equation is analytically continued to the unphysical sheet adjacent to the positive real energy axis using a contour rotation. We consider both the three-boson system and the three-neutron system. For the former, we calculate the trajectory of Borromean three-body Efimov states turning into resonances as they cross the three-body threshold. For the latter, we find no sign of three-body resonances or virtual states at leading order. Furthermore, this result is validated by exploring the level structure of three-body states in a finite volume approach.

74 ATOMIC AND MOLECULAR PHYSICS↗

Quasinormal modes of charged fields in Reissner-Nordström backgrounds by Borel-Padé summation of Bender-Wu series

We extend recent work of Hatsuda on the computation of quasinormal mode frequencies via analytic continuation of bound state energies and Borel-Pade resummation of the Bender-Wu perturbation series to the case of charged fields in the background of Reissner-Nordstrom black holes. We compare the quasinormal mode frequencies obtained in this manner to calculations using Leaver's method of continued fractions, and find good agreement for damped modes (DMs) with imaginary part remaining finite in the extremal limit. Here, we also present numerical evidence that the frequencies of certain zero-damped modes (ZDMs) with imaginary part tending to zero in the extremal limit can be computed when constructing the Bender-Wu expansion about a peak of the potential inside the outer horizon of the black hole.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Tensor network formulation of two-dimensional gravity

We show how to formulate a lattice gauge theory whose naive continuum limit corresponds to two-dimensional (Euclidean) quantum gravity including a positive cosmological constant. More precisely the resultant continuum theory corresponds to gravity in a first-order formalism in which the local frame and spin connection are treated as independent fields. Recasting this lattice theory as a tensor network allows us to study the theory at strong coupling without encountering a sign problem. In two dimensions this tensor network is exactly soluble and we show that the system has a series of critical points that occur for pure imaginary coupling and are associated with first order phase transitions. We then augment the action with a Yang-Mills term which allows us to control the lattice spacing and show how to apply the tensor renormalization group to compute the free energy and look for critical behavior. Finally we perform an analytic continuation in the gravity coupling in this extended model and show that its critical behavior in a certain scaling limit depends only on the topology of the underlying lattice. We also show how the lattice gauge theory can be naturally generalized to generate the Polyakov or Liouville action for two dimensional quantum gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Timelike meson form factors beyond the elastic region from lattice QCD

We present a calculation of the vector-isovector timelike form factors of the pion and the kaon using lattice quantum chromodynamics. We calculate two-point correlation functions with m π ∼ 280 MeV , extracting both the finite-volume spectrum and matrix elements for these states created from the vacuum by a vector current. After determining the coupled-channel π π , K K ¯ scattering amplitudes, we perform the necessary correction for the significant finite-volume effects present in the current matrix elements, leading to the timelike form factors. We find these to be dominated by the presence of the ρ resonance, and we extract its decay constant by an analytic continuation of the amplitudes to the resonance pole. In addition, the spacelike pion form factor is determined on the same lattice configurations, and a dispersive parametrization is used to simultaneously describe the spacelike and elastic timelike regions. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Near-threshold states in coupled D D * − D * D * scattering from lattice QCD

The first determination of doubly charmed isospin-0 coupled-channel D D * − D * D * scattering amplitudes from lattice quantum chromodynamics (QCD) is presented. The finite-volume spectrum is computed for three lattice volumes with a light-quark mass corresponding to m π ≈ 391 MeV and is used to extract the scattering amplitudes in J P = 1 + via the Lüscher quantization condition. By analytically continuing the scattering amplitudes to complex energies, a T c c pole corresponding to a virtual bound state is found below D D * threshold. We also find a second pole, T c c ′ , corresponding to a resonance pole below the kinematically closed D * D * channel, to which it has a strong coupling. A nonzero coupling is robustly found between the S -wave D D * and D * D * channels producing a clear cusp in the D D * amplitude at the D * D * threshold energy. This suggests that the experimental T c c ′ should be observable in D D * and D * D * final states at ongoing experiments. Published by the American Physical Society 2025

Whyte, Travis (ORCID:000000027661301X)↗

Physical-mass calculation of ρ ( 770 ) and K * ( 892 ) resonance parameters via π π and K π scattering amplitudes from lattice QCD

We present our study of the ρ ( 770 ) and K * ( 892 ) resonances from lattice quantum chromodynamics (QCD) employing domain-wall fermions at physical quark masses. We determine the finite-volume energy spectrum in various momentum frames and obtain phase-shift parametrizations via the Lüscher formalism and as a final step the complex resonance poles of the π π and K π elastic scattering amplitudes via an analytical continuation of the models. By sampling a large number of representative sets of underlying energy-level fits, we also assign a systematic uncertainty to our final results. This is a significant extension to data-driven analysis methods that have been used in lattice QCD to date, due to the two-step nature of the formalism. Our final pole positions, M + i Γ / 2 , with all statistical and systematic errors exposed, are M K * = 893 ( 2 ) ( 8 ) ( 54 ) ( 2 ) MeV and Γ K * = 51 ( 2 ) ( 11 ) ( 3 ) ( 0 ) MeV for the K * ( 892 ) resonance and M ρ = 796 ( 5 ) ( 15 ) ( 48 ) ( 2 ) MeV and Γ ρ = 192 ( 10 ) ( 28 ) ( 12 ) ( 0 ) MeV for the ρ ( 770 ) resonance. The four differently grouped sources of uncertainties are, in the order of occurrence: statistical, data-driven systematic, an estimation of systematic effects beyond our computation (dominated by the fact that we employ a single lattice spacing), and the error from the scale-setting uncertainty on our ensemble. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Collins-Soper kernel in the QCD instanton vacuum

We outline a general framework for evaluating the nonperturbative soft functions in the quantum chromodynamics (QCD) instanton vacuum. In particular, from the soft function we derive the Collins-Soper (CS) kernel, which drives the rapidity evolution of the transverse-momentum-dependent parton distributions. The resulting CS kernel, when supplemented with the perturbative contribution, agrees well with recent lattice results and some phenomenological parametrizations. Moreover, our CS kernel depends logarithmically on the large quark transverse separation, providing a key constraint on its phenomenological parametrization. Finally, a lattice calculation can be directly compared to our generic results in Euclidean signature, thus providing a new approach for evalulating the soft function and extracting the CS kernel by analytical continuation.

QCD phenomenology↗

Topological contribution to the Bogoliubov coefficient for cosmological particle production

Particle production in cosmology is often efficiently computed in terms of Bogoliubov transforms. Restricting to a particular class of dispersion relationships, we identify a map between the number of particles produced in a special kinematic limit and a Stokes phenomena related topology of analytic continuation of the Bogoliubov coefficient functions. Intuitively, this kinematic limit corresponds to the long wavelength limit although a more precise description depends on the nature of the curved spacetime. To identify the topology, we reformulate the usual Bogoliubov computations as a type of SU(1, 1) gauged differential equation and utilize a special gauge together with a discrete symmetry that naturally characterizes the dispersion relationship. Using a dark matter model and a nonzero constant spatial curvature model, we estimate how such topological contributions will arise in physical applications. Published by the American Physical Society 2025

Chung, Daniel J. H. (ORCID:0000000343998504)↗

Pairing Correlations across the Superfluid Phase Transition in the Unitary Fermi Gas

In the two-component Fermi gas with a contact interaction, a pseudogap regime can exist at temperatures between the superfluid critical temperature $T_c$ and a temperature $T^\ast > T_c$. This regime is characterized by pairing correlations without superfluidity. However, in the unitary limit of infinite scattering length, the existence of this regime is still debated. To help address this, we have applied finite-temperature auxiliary-field quantum Monte Carlo (AFMC) methods to study the thermodynamics of the superfluid phase transition and signatures of the pseudogap in the spin-balanced homogeneous unitary Fermi gas. We present results at finite filling factor $\textit{ν}$ ≃ 0.06 for the condensate fraction, an energy-staggering pairing gap, the spin susceptibility, and the heat capacity, and compare them to experimental data when available. In contrast to previous AFMC simulations, our model space consists of the complete first Brillouin zone of the lattice, and our calculations are performed in the canonical ensemble of fixed particle number. The canonical ensemble AFMC framework enables the calculation of a model-independent gap, providing direct information on pairing correlations without the need for numerical analytic continuation. We use finite-size scaling to estimate $T_c$ at the corresponding filling factor. In this work, we find that the energy-staggering pairing gap vanishes above $T_c$, showing no pseudogap effects, and that the spin susceptibility shows a substantially reduced signature of a spin gap compared to previously reported AFMC simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Real-Frequency Response Functions at Finite Temperature

Building on previous developments [A. Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlanc, Phys. Rev. B 99, 035120 (2019); A. Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlancPhys. Rev. B101, 125109 (2020); A. Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlancPhys. Rev. B102, 045115 (2020), B. Holm and U. von Barth, Phys. Rev. B 57, 2108 (1998), J. Vičičevic and M. Ferrero, Phys. Rev. B 101, 075113 (2020)], we show that the diagrammatic Monte Carlo technique allows us to compute finite-temperature response functions directly on the real-frequency axis within any field-theoretical formulation of the interacting fermion problem. There are no limitations on the type and nature of the system’s action or whether partial summation and self-consistent treatment of certain diagram classes are used. In particular, by eliminating the need for numerical analytic continuation from a Matsubara representation, our scheme allows us to study spectral densities of arbitrary complexity with controlled accuracy in models with frequency-dependent effective interactions. Finally, for illustrative purposes we consider the problem of the plasmon linewidth in a homogeneous electron gas (jellium).

3-dimensional systems↗

Light and Strange Vector Resonances from Lattice QCD at Physical Quark Masses

We present the first ab initio calculation at physical quark masses of scattering amplitudes describing the lightest pseudoscalar mesons interacting via the strong force in the vector channel. Using lattice quantum chromodynamics, we postdict the defining parameters for two short-lived resonances, the ρ(770) and K*(892) which manifest as complex energy poles in ππ and Kπ scattering amplitudes, respectively. The calculation proceeds by first computing the finite-volume energy spectrum of the two-hadron systems and then determining the amplitudes from the energies using the Lüscher formalism. The error budget includes a data-driven systematic error, obtained by scanning possible fit ranges and fit models to extract the spectrum from Euclidean correlators, as well as the scattering amplitudes from the latter. The final results, obtained by analytically continuing multiple parametrizations into the complex energy plane, are M ρ = 796(5)(50)MeV, Γ ρ = 192(10)(31) MeV, M K* = 893(2)(54) MeV, and Γ K = 51(2)(11) MeV, where the subscript indicates the resonance and M and Γ stand for the mass and width, respectively, and where the first bracket indicates the statistical and the second bracket the systematic uncertainty.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗