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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Disentangling long and short distances in momentum-space TMDs

The extraction of nonperturbative TMD physics is made challenging by prescriptions that shield the Landau pole, which entangle long- and short-distance contributions in momentum space. The use of different prescriptions then makes the comparison of fit results for underlying nonperturbative contributions not meaningful on their own. We propose a model-independent method to restrict momentum-space observables to the perturbative domain. This method is based on a set of integral functionals that act linearly on terms in the conventional position-space operator product expansion (OPE). Artifacts from the truncation of the integral can be systematically pushed to higher powers in Λ QCD /k T . We demonstrate that this method can be used to compute the cumulative integral of TMD PDFs over k T ≤ k$^{cut}_{T}$ in terms of collinear PDFs, accounting for both radiative corrections and evolution effects. This yields a systematic way of correcting the naive picture where the TMD PDF integrates to a collinear PDF, and for unpolarized quark distributions we find that when renormalization scales are chosen near k$^{cut}_{T}$, such corrections are a percent-level effect. We also show that, when supplemented with experimental data and improved perturbative inputs, our integral functionals will enable model-independent limits to be put on the non-perturbative OPE contributions to the Collins-Soper kernel and intrinsic TMD distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Lattice calculation of short-range contributions to neutrinoless double-beta decay 𝜋 − → 𝜋 + ⁢𝑒⁢𝑒 at physical pion mass

Neutrinoless double-beta (0⁢𝜈⁢𝛽⁢𝛽) decays provide an excellent probe for determining whether neutrinos are Dirac or Majorana fermions. The short-range matrix elements associated with the 𝜋 − → 𝜋 + ⁢𝑒⁢𝑒 process contribute at leading order in the 0⁢𝜈⁢𝛽⁢𝛽 decay channel 𝑛⁢𝑛 → 𝑝⁢𝑝⁢𝑒⁢𝑒 through pion exchange between nucleons. However, current lattice calculations show notable discrepancies in predicting these short-range contributions. To address this issue, we perform a lattice QCD calculation of the 𝜋 − → 𝜋 + ⁢𝑒⁢𝑒 matrix elements using domain wall fermion ensembles at the physical pion mass generated by the RBC/UKQCD Collaboration. To mitigate contamination from around-the-world effects, we develop a new method to reconstruct and subtract them directly from lattice data. We then perform nonperturbative renormalization in the regularization-independent symmetric momentum-subtraction scheme (RI/SMOM), using the (𝛾 𝜇 , 𝛾 𝜇 ) and ($\not{𝑞}$, $\not{𝑞}$) projectors. Compared with previous studies, this work reduces the uncertainties in the matrix elements and provides an independent cross-check that helps to reconcile the discrepancies among previous lattice calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Bootstrapping mixed correlators in three-dimensional cubic theories II

Conformal field theories (CFTs) with cubic global symmetry in 3D are relevant in a variety of condensed matter systems and have been studied extensively with the use of perturbative methods like the \varepsilon ε expansion. In an earlier work, we used the nonperturbative numerical conformal bootstrap to provide evidence for the existence of a previously unknown 3D CFT with cubic symmetry, dubbed “Platonic CFT”. In this work, we make further use of the numerical conformal bootstrap to perform a three-dimensional scan in the space of scaling dimensions of three low-lying operators. We find a three-dimensional isolated allowed region in parameter space, which includes both the 3D (decoupled) Ising model and the Platonic CFT. The essential assumptions on the spectrum of operators used to provide the isolated allowed region include the existence of a stress-energy tensor and the irrelevance of certain operators (in the renormalization group sense).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Theoretical methods to design and test quantum simulators for the compact Abelian Higgs model

The lattice compact Abelian Higgs model is a nonperturbative regularized formulation of low-energy scalar quantum electrodynamics. In 1+1 dimensions, this model can be quantum simulated using a ladder-shaped optical lattice with Rydberg-dressed atoms. In this setup, one spatial dimension is used to carry the angular momentum of the quantum rotors. One can use truncations corresponding to spin-2 and spin-1 to build local Hilbert spaces associated with the links of the lattice. We argue that ladder-shaped configurable arrays of Rydberg atoms can be used for the same purpose. We make concrete proposals involving two and three Rydberg atoms to build one local spin-1 space (a qutrit). We show that the building blocks of the Hamiltonian calculations are models with one and two spins. We compare target and simulators using perturbative and numerical methods. The two-atom setup provides an easily controllable simulator of the one-spin model while the three-atom setup involves solving nonlinear equations. We discuss approximate methods to couple two spin-1 spaces. The article provides analytical and numerical tools necessary to design and build the proposed simulators with current technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Towards a nonperturbative construction of the S-matrix

We present a nonperturbative recipe for directly computing the S-matrix in strongly-coupled QFTs. The method makes use of spectral data obtained in a Hamiltonian framework and can be applied to a wide range of theories, including potentially QCD. We demonstrate the utility of this prescription in the specific example of the 2+1d O(N) model at large N, using energy eigenstates computed with Hamiltonian truncation to reproduce the full 2 → 2 scattering amplitude for arbitrary (complex) center-of-mass energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Resummation for lattice QCD calculation of generalized parton distributions at nonzero skewness

Large-momentum effective theory (LaMET) provides an approach to directly calculate the x-dependence of generalized parton distributions (GPDs) on a Euclidean lattice through power expansion and a perturbative matching. When a parton’s momentum becomes soft, the corresponding logarithms in the matching kernel become non-negligible at higher orders of perturbation theory, which requires a resummation. But the resummation for the off-forward matrix elements at nonzero skewness ξ is difficult due to their multi-scale nature. In this work, we demonstrate that these logarithms are important only in the threshold limit, and derive the threshold factorization formula for the quasi-GPDs in LaMET. We then propose an approach to resum all the large logarithms based on the threshold factorization, which is implemented on a GPD model. We demonstrate that the LaMET prediction is reliable for [−1 + x 0 , −ξ − x 0 ] ∪ [−ξ + x 0 , ξ − x 0 ] ∪ [ξ + x 0 , 1 − x 0 ], where x 0 is a cutoff depending on hard parton momenta. Through our numerical tests with the GPD model, we demonstrate that our method is self-consistent and that the inverse matching does not spread the nonperturbative effects or power corrections to the perturbatively calculable regions.

hadronic spectroscopy↗
DOE OSTI2025

Polaron catastrophe within quantum acoustics

The quantum acoustic framework has recently emerged as a nonperturbative, coherent approach to electron–lattice interactions, uncovering rich physics often obscured by perturbative methods with incoherent scattering events. Here, we model the strongly coupled dynamics of electrons and acoustic lattice vibrations within this framework, representing lattice vibrations as coherent states and electrons as quantum wave packets, in a manner distinctively different from tight-binding or discrete hopping-based approaches. We derive and numerically implement electron backaction on the lattice, providing both visual and quantitative insights into electron wave packet evolution and the formation of acoustic polarons. We investigate polaron binding energies across varying material parameters and compute key observables—including mean square displacement, kinetic energy, potential energy, and vibrational energy—over time. Our findings reveal the conditions that favor polaron formation, which is enhanced by low temperatures, high deformation potential constants, slow sound velocities, and high effective masses. Additionally, we explore the impact of external electric and magnetic fields, showing that while polaron formation remains robust under moderate fields, it is weakly suppressed at higher field strengths. These results deepen our understanding of polaron dynamics and pave the way for future studies into nontrivial transport behavior in quantum materials.

Science & Technology - Other Topics↗
DOE OSTI2019

First-principles electronic structure in second-moment calculation of mode frequencies: Failure of quasiharmonic approximation in silicon

Using first-principles electronic structure calculations (local density approximation), we present second-moment calculations of the temperature dependence of the vibrational normal mode frequencies in Si up to 1500 K . The method is based on simple ensemble averages of displacements and forces and is easy to implement. These efficient calculations incorporate all interactions nonperturbatively, implicitly including all high order force constants, in contrast to typical perturbative approaches. Also in this work, we propose and apply to our classical calculations an estimated quantum correction that could be used for classical approaches other than the moments method. We compare our results to available experiments, including recent inelastic neutron scattering data and conclude that the second-moment gives the frequency shift to within a factor of 2 in contrast to quasiharmonic approaches that fail by an order of magnitude to predict the anharmonic shift. Noting the relative simplicity and speed of the calculations, we conclude that the second-moment approximation reasonably accounts for anharmonicity in a system that has been very closely studied experimentally and may reliably be applied in an exploratory way to more complex systems. Finally, we suggest that further improvement on the results could be obtained by incorporating the fourth moment, which can be implemented with little additional cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Renormalized quark masses using gradient flow

We propose a new and simple method for determining the renormalized quark masses from lattice simulations. Renormalized quark masses are an important input to many phenomenological applications, including searching and modeling physics beyond the Standard Model. The nonperturbative renormalization is performed using gradient flow combined with the short-flow-time expansion that is improved by renormalization group (RG) running to match to the $\overline{MS}$ scheme. Implementing the RG running perturbatively, we demonstrate this method works reliably at least up to the charm-quark mass and exhibits an easily attainable “windowing condition.” Using RBC/UKQCD’s (2+1)-flavor Shamir domain-wall fermion ensembles with Iwasaki gauge action, we find 𝑚 $\overline{MS}$ 𝑠⁡ (𝜇 = 2 GeV) = 89⁢(3) MeV and 𝑚 $\overline{MS}$ 𝑐 ⁡(𝜇 = 3 GeV) = 972⁢(16) MeV. These results predict the scale-independent ratio 𝑚 𝑐 /𝑚 𝑠 = 12.1⁢(4). Generalization to other observables is possible, providing an efficient approach to determine nonperturbatively renormalized fermionic observables like form factors or bag parameters from lattice simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Machine learning approach for vibronically renormalized electronic band structures

Here, we present a machine learning (ML) method for efficient computation of vibrational thermal expectation values of physical properties from first principles. Our approach is based on the nonperturbative frozen phonon formulation in which stochastic Monte Carlo algorithm is employed to sample configurations of nuclei in a supercell at finite temperatures based on a first-principles phonon model. A deep-learning neural network is trained to accurately predict physical properties associated with sampled phonon configurations, thus bypassing the time-consuming ab initio calculations. To incorporate the point-group symmetry of the electronic system into the ML model, group-theoretical methods are used to develop a symmetry-invariant descriptor for phonon configurations in the supercell. We apply our ML approach to compute the temperature dependent electronic energy gap of silicon based on density functional theory (DFT). We show that, with less than a hundred DFT calculations for training the neural network model, an order of magnitude larger number of sampling can be achieved for the computation of the vibrational thermal expectation values. Our work highlights the promising potential of ML techniques for finite temperature first-principles electronic structure methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Nonperturbative bounds on scattering of massive scalar particles in d ≥ 2

We study two-to-two scattering amplitudes of a scalar particle of mass m. For simplicity, we assume the presence of Z 2 symmetry and that the particle is Z 2 odd. We consider two classes of amplitudes: the fully nonperturbative ones and effective field theory (EFT) ones with a cut-off scale M. Using the primal numerical method which allows us to impose full non-linear unitarity, we construct novel bounds on various observables in 2 ≤ d ≤ 4 space-time dimensions for both classes of amplitudes. We show that our bounds are much stronger than the ones obtained by using linearized unitarity or positivity only. We discuss applications of our bounds to constraining EFTs. Finally, we compare our bounds to the amplitude in Φ 4 theory computed perturbatively at weak coupling, and find that they saturate the bounds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Toward a microscopic picture of hadronization and multi-parton processes

This project advanced the understanding of how quarks and gluons produced in high-energy collisions transform into the hadrons observed in particle detectors, a fundamental process known as quantum chromodynamics (QCD) hadronization. By combining theoretical calculations, quantum simulation methods, and modern AI techniques, the research developed new tools to study multi-parton dynamics and nonperturbative effects that are essential for interpreting data from current and future nuclear physics experiments. Key outcomes include new theoretical frameworks for jet and hadron measurements, pioneering quantum simulation algorithms for real-time dynamics in field theories, and the development of advanced machine-learning models, such as diffusion models and explainable classifiers, to simulate and analyze collider events. These results are directly relevant to experiments at Jefferson Lab, Brookhaven National Laboratory, and the future Electron-Ion Collider, and they also have a broader impact in areas such as quantum information science and data-driven modeling of complex systems. The project supported the training of graduate students and postdoctoral fellows and contributed to the broader scientific community through publications, workshops, and collaborative activities. Overall, this work provides new insights into the microscopic mechanisms of hadron formation and establishes a foundation for future studies at the intersection of nuclear physics, artificial intelligence, and quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

LSZ in action: extracting form factors from correlators nonperturbatively in 2d ϕ4 theory

Abstract In this paper, we compute multiparticle form factors of local operators in 2dϕ 4 theory using a recently proposed method [1] for efficiently implementing the LSZ prescription with Hamiltonian Truncation methods, and we adopt Lightcone Conformal Truncation (LCT) in particular for our calculations. We perform various checks of our results at weak and strong coupling, and elucidate the parametric behavior of truncation errors. This opens up the possibility to compute S-matrix in various strongly coupled models using the LSZ method in LCT.

Physics↗
DOE OSTI2020

Nonperturbative matching between equal-time and lightcone quantization

We investigate the nonperturbative relation between lightcone (LC) and standard equal-time (ET) quantization in the context of λΦ4 theory in d = 2. We discuss the perturbative matching between bare parameters and the failure of its naive nonperturbative extension. We argue that they are nevertheless the same theory nonperturbatively, and that furthermore the nonperturbative map between bare parameters can be extracted from ET perturbation theory via Borel resummation of the mass gap. We test this map by using it to compare physical quantities computed using numerical Hamiltonian truncation methods in ET and LC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Nonperturbative Lorentz violation and field quantization

Regimes of Lorentz-violating effective field theories are studied in which departures from Lorentz symmetry are nonperturbative. Within a free toy theory exhibiting Lorentz breakdown involving an operator of mass dimension three, it is shown that conventional methods suffice to achieve field quantization and Fock-space construction. However, the absence of an observer-invariant energy-positivity condition requires physical input beyond the free theory for the unambiguous identification of a ground state. An investigation of the role of thermodynamics in this context is instigated.

Ground state↗
DOE OSTI2020

Framework for simulating gauge theories with dipolar spin systems

Gauge theories appear broadly in physics, ranging from the standard model of particle physics to long-wavelength descriptions of topological systems in condensed matter. However, systems with sign problems are largely inaccessible to classical computations and also beyond the current limitations of digital quantum hardware. In this work, we develop an analog approach to simulating gauge theories with an experimental setup that employs dipolar spins (molecules or Rydberg atoms). We consider molecules fixed in space and interacting through dipole-dipole interactions, avoiding the need for itinerant degrees of freedom. Each molecule represents either a site or gauge degree of freedom, and Gauss's law is preserved by a direct and programmatic tuning of positions and internal state energies. This approach can be regarded as a form of analog systems programming and charts a path forward for near-term quantum simulation. As a first step, we numerically validate this scheme in a small-system study of U(1) quantum link models in (1+1) dimensions with link spin S = 1/2 and S =1 and illustrate how dynamical phenomena such as string inversion and string breaking could be observed in near-term experiments. Our work brings together methods from atomic and molecular physics, condensed matter physics, high-energy physics, and quantum information science for the study of nonperturbative processes in gauge theories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Variational Adiabatic Gauge Transformation on Real Quantum Hardware for Effective Low-Energy Hamiltonians and Accurate Diagonalization

Effective low-energy theories represent powerful theoretical tools to reduce the complexity in modeling interacting quantum many-particle systems. However, common theoretical methods rely on perturbation theory, which limits their applicability to weak interactions. Here we introduce the Variational Adiabatic Gauge Transformation (VAGT), a nonperturbative hybrid quantum algorithm that can use nowadays quantum computers to learn the variational parameters of the unitary circuit that brings the Hamiltonian to either its block-diagonal or full-diagonal form. If a Hamiltonian can be diagonalized via a shallow quantum circuit, then VAGT can learn the optimal parameters using a polynomial number of runs. The accuracy of VAGT is tested through numerical simulations, as well as simulations on Rigetti and IonQ quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗