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This software generates QED fields in which the photon has a finite mass, and also the 0-mode subtracted scheme. They are intended to be used with lattice QCD calculations to understand the QED corrections to nuclear physics processes that are being computed with lattice QCD. To the best of my knowledge, this will be the only publicly available software that generates background QED configurations with massive photons.
Phase shifts for 𝑠-wave 𝜋𝜋 scattering in both the 𝐼 =0 and 𝐼 =2 channels are determined from a lattice QCD calculation performed on 741 gauge configurations obeying G-parity boundary conditions with a physical pion mass and lattice size of 32 3 ×64. These results support our recent 2021 study of direct 𝐶𝑃 violation in 𝐾 → 𝜋𝜋 decay, improving our earlier 2015 calculation. The phase shifts are determined for both stationary and moving 𝜋𝜋 systems, at three (𝐼 = 0) and four (𝐼 = 2) different total momenta. We implement several 𝜋𝜋 interpolating operators including a scalar bilinear “𝜎” operator and paired single-pion bilinear operators with the constituent pions carrying various relative momenta. Several techniques, including correlated fitting and a bootstrap determination of p-values have been used to refine the results and a comparison with the generalized eigenvalue problem method is given. A detailed systematic error analysis is performed which allows phase shift results to be presented at a fixed energy.
Yttrium hydride (YH x ) is of interest as a high-temperature moderator material in advanced nuclear reactor systems because of its superior ability to retain hydrogen at elevated temperatures. Thermal neutron scattering laws (TSL) for hydrogen bound in yttrium hydride (H-YH 2 ) and yttrium bound in yttrium hydride (Y-YH 2 ) were previously evaluated by Naval Nuclear Laboratory using the ab initio approach and released in ENDF/B-VIII.0. In that work, density functional theory, incorporating the generalized gradient approximation (GGA) for the exchange-correlation energy, was used to simulate the face-centered cubic structure of YH 2 and calculate the interatomic Hellmann-Feynman forces for a 2×2×2 supercell containing 96 atoms. Lattice dynamics calculations using PHONON were used to determine the phonon density of states. The calculated phonon density of states for H and Y in YH 2 were then used to prepare H-YH 2 and Y-YH 2 TSL evaluations, in the incoherent approximation, using the LEAPR module of NJOY. In addition, elastic scattering was assumed to be incoherent for both H and Y. While the incoherent elastic scattering approximation is appropriate for H-YH 2 , it introduces an undesirable approximation for Y-YH 2 . In this work, we re-evaluate the TSL for Y-YH 2 using FLASSH (Full Law Analysis Scattering System Hub). Y-YH 2 is evaluated using the FLASSH generalized coherent elastic scattering capability in order to capture the Bragg peaks associated with the YH 2 crystal structure which were neglected in the prior NJOY-based evaluation due to limitations in LEAPR. An experimental approach to validate the Y-YH 2 TSL using neutron transmission measurements is discussed.
The pion light-cone distribution amplitude (LCDA) is a central non-perturbative object of interest for the calculation of high-energy exclusive processes in quantum chromodynamics. This article describes the progress in the lattice QCD calculation of the fourth Mellin moment of the pion LCDA using a heavy-quark operator product expansion (HOPE).
In this work, we present a lattice QCD calculation of the Mellin moments of the twist-2 axial-vector generalized parton distribution (GPD), $\overset{\sim }{H}\left(x,\xi, t\right)$ , at zero skewness, ξ, with multiple values of the momentum transfer, t. Our analysis employs the short-distance factorization framework on ratio-scheme renormalized quasi-GPD matrix elements. The calculations are based on an N f = 2 + 1 + 1 twisted mass fermions ensemble with clover improvement, a lattice spacing of a = 0.093 fm, and a pion mass of m π = 260 MeV. We consider both the iso-vector and iso-scalar cases, utilizing next-to-leading-order perturbative matching while omitting the disconnected contributions and gluon mixing in the iso-scalar case. For the first time, we determine the Mellin moments of $\overset{\sim }{H}$ up to the fifth order. From these moments, we discuss the quark helicity and orbital angular momentum contributions to the nucleon spin, as well as the spin-orbit correlations of the quarks. Additionally, we perform a Fourier transform over the momentum transfer, which allows us to explore the spin structure in the impact-parameter space.
Large momentum effective theory (LaMET) provides a general framework for computing the multi-dimensional partonic structure of the proton from first principles using lattice quantum chromodynamics (QCD). In this effective field theory approach, LaMET predicts parton distributions through a power expansion and perturbative matching of a class of Euclidean observables—quasi-distributions—evaluated at large proton momenta. Recent advances in lattice renormalization, such as the hybrid scheme with leading renormalon resummation, together with improved matching kernel that incorporates higher-loop corrections and resummations, have enhanced both the perturbative and power accuracy of LaMET, enabling a reliable quantification of theoretical uncertainties. Moreover, the Coulomb-gauge correlator approach further simplifies lattice analyses and improves the precision of transverse-momentum-dependent structures, particularly in the non-perturbative region. State-of-the-art LaMET calculations have already yielded certain parton observables with important phenomenological impact. In addition, the recently proposed kinematically enhanced lattice interpolation operators promise access to unprecedented proton momenta with greatly improved signal-to-noise ratios, which will extend the range of LaMET prediction and further suppress the power corrections. The remaining challenges, such as controlling excited-state contamination in lattice matrix elements and extracting gluonic distributions, are expected to benefit from emerging lattice techniques for ground-state isolation and noise reduction. Thus, lattice QCD studies of parton physics have entered an exciting stage of precision control and systematic improvement, which will have a broader impact for nuclear and particle experiments.
We present the first lattice QCD calculation of the charm quark contribution to the nucleon electromagnetic form factors $G^c_{E,M}(Q^2)$ in the momentum transfer range $0\leq Q^2 \leq 1.4$ $\rm GeV^2$. The quark mass dependence, finite lattice spacing and volume corrections are taken into account simultaneously based on the calculation on three gauge ensembles including one at the physical pion mass. The nonzero value of the charm magnetic moment $\mu^c_M=-0.00127(38)_{\rm stat}(5)_{\rm sys}$, as well as the Pauli form factor, reflects a nontrivial role of the charm sea in the nucleon spin structure. The nonzero $G^c_{E}(Q^2)$ indicates the existence of a nonvanishing asymmetric charm-anticharm sea in the nucleon. Performing a nonperturbative analysis based on holographic QCD and the generalized Veneziano model, we study the constraints on the $[c(x)-\bar{c}(x)]$ distribution from the lattice QCD results presented here. Our results provide complementary information and motivation for more detailed studies of physical observables that are sensitive to intrinsic charm and for future global analyses of parton distributions including asymmetric charm-anticharm distribution.
The calculation of disconnected diagram contributions to physical signals is a computationally expensive task in Lattice QCD. To extract the physical signal, the trace of the inverse Lattice Dirac operator, a large sparse matrix, must be stochastically estimated. Because the variance of the stochastic estimator is typically large, variance reduction techniques must be employed. Multilevel Monte Carlo (MLMC) methods reduce the variance of the trace estimator by utilizing a telescoping sequence of estimators. Frequency Splitting is one such method that uses a sequence of inverses of shifted operators to estimate the trace of the inverse lattice Dirac operator, however there is no a priori way to select the shifts that minimize the cost of the multilevel trace estimation. Here we present a sampling and interpolation scheme that is able to predict the variances associated with Frequency Splitting under displacements of the underlying space time lattice. The interpolation scheme is able to predict the variances to high accuracy and therefore chooses shifts that correspond to an approximate minimum of the cost for the trace estimation. We show that Frequency Splitting with the chosen shifts displays significant speedups over multigrid deflation, and that these shifts can be used for multiple configurations within the same ensemble with no penalty to performance.
The calculation of disconnected diagram contributions to physical signals is a computationally expensive task in Lattice QCD. To extract the physical signal, the trace of the inverse Lattice Dirac operator, a large sparse matrix, must be stochastically estimated. Because the variance of the stochastic estimator is typically large, variance reduction techniques must be employed. Multilevel Monte Carlo (MLMC) methods reduce the variance of the trace estimator by utilizing a telescoping sequence of estimators. Frequency Splitting is one such method that uses a sequence of inverses of shifted operators to estimate the trace of the inverse of the lattice Dirac operator, however there is no a priori way to select the shifts that minimize the cost of the multilevel trace estimation. We present a sampling and interpolation scheme that is able to predict the variances associated with Frequency Splitting under displacements of the underlying space time lattice. The interpolation scheme is able to predict the variances to high accuracy and therefore choose shifts that correspond to an approximate minimum of the cost for the trace estimation. We show that Frequency Splitting with the chosen shifts displays significant speedups over multigrid deflation
In this study, we present continuum limit results for the unpolarized parton distribution function of the nucleon computed in lattice QCD. This study is the first continuum limit using the pseudo-PDF approach with Short Distance Factorization for factorizing lattice QCD calculable matrix elements. Our findings are also compared with the pertinent phenomenological determinations. Inter alia, we are employing the summation Generalized Eigenvalue Problem (sGEVP) technique in order to optimize our control over the excited state contamination which can be one of the most serious systematic errors in this type of calculations. A crucial novel ingredient of our analysis is the parameterization of systematic errors using Jacobi polynomials to characterize and remove both lattice spacing and higher twist contaminations, as well as the leading twist distribution. This method can be expanded in further studies to remove all other systematic errors.
The first experimental information on the strong interaction between $Λ$ and $Ξ$ - strange baryons is presented in this Letter. The correlation function of $Λ–Ξ$ - and $\overline{Λ}$ –$\overline{Ξ}$ + pairs produced in high-multiplicity proton–proton (pp) collisions at $\sqrt{s}$=13 TeV at the LHC is measured as a function of the relative momentum of the pair. The femtoscopy method is used to calculate the correlation function, which is then compared with theoretical expectations obtained using a meson exchange model, chiral effective field theory, and Lattice QCD calculations close to the physical point. Data support predictions of small scattering parameters while discarding versions with large ones, thus suggesting a weak $Λ–Ξ$ - interaction. The limited statistical significance of the data does not yet allow one to constrain the effects of coupled channels like $Σ–Ξ$ and $N–Ω$.
Here, we report angle resolved photoemission experiments on a newly discovered family of kagome metals RV 6 Sn 6 (R = Gd, Ho). Intrinsic bulk states and surface states of the vanadium kagome layer are differentiated from those of other atomic sublattices by the real-space resolution of the measurements with a small beam spot. Characteristic Dirac cone, saddle point, and flat bands of the kagome lattice are observed. Our results establish the two-dimensional (2D) kagome surface states as a new platform to investigate the intrinsic kagome physics.
We present a lattice QCD calculation of the transversity isovector- and isoscalar-quark parton distribution functions (PDFs) of the proton utilizing a perturbative matching at next-to-leading-order (NLO) accuracy. Additionally, we determine the isovector and isoscalar tensor charges for the proton. In both calculations, the disconnected contributions to the isoscalar matrix elements have been ignored. The calculations are performed using a single ensemble of N f = 2 + 1 highly improved staggered quarks simulated with physical-mass quarks and a lattice spacing of a = 0.076 fm . The Wilson-clover action, with physical quark masses and smeared gauge links obtained from one iteration of hypercubic smearing, is used in the valence sector. Using the NLO operator product expansion, we extract the lowest four to six Mellin moments and the PDFs via a neural network from the matrix elements in the pseudo-PDF approach. In addition, we calculate the PDFs in the quasi-PDF approach with hybrid-scheme renormalization and the recently developed leading-renormalon resummation technique, at NLO with the resummation of leading small- x logarithms. Published by the American Physical Society 2024
We present lattice-QCD calculations of the hadronic form factors for the semileptonic decays D → πℓν, D → Kℓν, and D s → Kℓν. Our calculation uses the highly improved staggered quark (HISQ) action for all valence and sea quarks and includes N f = 2 + 1 + 1 MILC ensembles with lattice spacings ranging from a ≈ 0.12 fm down to 0.042 fm. At most lattice spacings, an ensemble with physical-mass light quarks is included. The HISQ action allows all the quarks to be treated with the same relativistic light-quark action, allowing for nonperturbative renormalization using partial conservation of the vector current. We combine our results with experimental measurements of the differential decay rates to determine |V cd | D → π = 0.2238(11) Expt (15) QCD (04) EW (02) SIB [22] QED and |V cs | D → K = 0.9589 (23) Expt (40) QCD (15) EW (05) SIB [95] QED . This result for |V cd | is the most precise to date, with a lattice-QCD error that is, for the first time for the semileptonic extraction, at the same level as the experimental error. Using recent measurements from BES III, we also give the first-ever determination of |V cd | D s → K = 0.258(15) Expt (01) QCD [03] QED from D s → Klν. Our results also furnish new Standard Model calculations of the lepton flavor universality ratios $R$$^{D → π}_{μ/e}$ = 0.98671(17) QCD [500] QED , $R$$^{D → π}_{μ/e}$ = 0.97606(16) QCD [500] QED , and $R$$^{D → π}_{μ/e}$ = 0.98099(10) QCD [500] QED , which are consistent within 2σ with experimental measurements. Our extractions of |V cd | and |V cs |, when combined with a value for |V cb |, provide the most precise test of second-row Cabibbo-Kobayashi-Maskawa unitarity, finding agreement with unitarity at the level of one standard deviation.
In this work, we introduce an open-source Julia project, express, an extensible, lightweight, high-throughput, high-level workflow framework that aims to automate ab initio calculations for the materials science community. express is shipped with well-tested workflow templates, including structure optimization, equation of state (EOS) fitting, phonon spectrum (lattice dynamics) calculation, and thermodynamic property calculation in the framework of the quasi-harmonic approximation (QHA). It is designed to be highly modularized so that its components can be reused across various occasions, and customized workflows can be built on top of that. Users can also track the status of workflows in real-time, and rerun failed jobs thanks to the data lineage feature express provides. Finally, two working examples, i.e., all workflows applied to lime and akimotoite, are also presented in the code and this paper.
It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of simplicity and familiarity, nearly all quantum many-body calculations have been performed on simple cubic lattices. Since the removal of lattice artifacts is often an important concern, it would be useful to perform calculations using more than one lattice geometry. In this paper we show how to perform quantum many-body calculations using auxiliary-field Monte Carlo simulations on a three-dimensional body-centered cubic (BCC) lattice. As a benchmark test we compute the ground state energy of 33 spin-up and 33 spin-down neutrons in the unitary limit, which is an idealized limit where the interaction range is zero and scattering length is infinite. As a fraction of the free Fermi gas energy E FG , we find that the ground state energy is E 0 /E FG =0.369(2),0.371(2), using two different definitions of the finite-system energy ratio. This is in excellent agreement with recent results obtained on a cubic lattice [He et al., Phys. Rev. A 101, 063615 (2020)]. We find that the computational effort and performance on a BCC lattice is approximately the same as that for a cubic lattice with the same number of lattice points. We discuss how the lattice simulations with different geometries can be used to constrain the size of lattice artifacts in simulations of continuum quantum many-body systems.
The Pd–Zn γ-brass phase provides exciting opportunities for synthesizing site-isolated catalysts with precisely controlled Pd active site ensembles. Introducing a third metallic element into the γ-brass lattice further perturbs the catalytic active site ensembles. Here, in this work, we introduce coinage metallic elements M (M = Cu, Ag, and Au) into the Pd–Zn γ-brass phase and investigate the site occupation factors of each element in the γ-brass lattice. The CALculation of PHAse Diagrams (CALPHAD) modeling approach supported by energetics predicted by the density functional theory and X-ray and neutron diffraction with Rietveld refinement were used to identify the SOF on each Wyckoff site for various M amounts alloyed into the Pd–Zn γ-brass phase. The present analysis unveils the strong preference for Pd occupying the outer tetrahedral (OT) site in the γ-brass lattice, while the coinage metallic elements tend to substitute for Zn on the octahedral (OH) site. The determination of site occupancy in the bulk M–Pd–Zn γ-brass phase provides opportunities to investigate and tailor potential catalytically active site ensembles in the γ-brass phase materials.
Understanding the excited light meson spectrum is vital to our understanding of how quarks and gluons bind to become hadrons. This sector is home to a plethora of states including hadrons laying outside the quark model. Distinguishing the exotics from the rest of the spectrum would be made easier if we first had a handle on the light qq¯ spectrum. I present the first determination of excited light JP C = 1--, 2--, 3-- resonances in meson-meson scattering at the SU(3) flavor point from lattice QCD. This system can be described in the context of pseudoscalar-vector elastic scattering and I determine two 1-- resonances; a lighter broader state followed by a heavier narrow state, one broad 2-- resonance, and one narrow 3-- resonance. This is the first calculation in lattice QCD that successfully extracts two resonances from the same partial wave, as well as the first calculation of a light 2-- resonance. I present the results in terms of the physical omega*/J , phi*/J resonances decaying into final states pi rho, KK¯*, eta omega and others, and compare to experiment as well as a popular phenomenological model.