Electromagnetic structure of A = 2 and 3 nuclei in chiral effective field theory
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Piarulli, M.↗
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Results for “Tensor factorizations”
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Nonperturbative running of the tensor operator for N f = 3 QCD from the chirally rotated Schrödinger functional
We study the renormalization group (RG) running of the nonsinglet tensor operator, for N f = 3 QCD with Wilson fermions in a mixed action setup, with standard Schrödinger functional (SF) boundary conditions for sea quarks and chirally rotated Schrödinger functional ( χ SF ) boundary conditions for valence quarks. Based on a recursive finite-size scaling technique we compute nonperturbatively the tensor step-scaling function for an energy range between a hadronic scale and an electroweak scale, above which perturbation theory may be safely applied. Our result is expressed as the RG-running factor T RGI / [ T ( μ had ) ] R , where the numerator is the scale independent (renormalization group invariant—RGI) tensor operator and the denominator is its renormalized counterpart at a hadronic scale μ had = 233 ( 8 ) MeV in a given scheme. We determine the step-scaling function in four distinct renormalization schemes. We also compute the renormalization parameters of these schemes at μ had which, combined with the RG-running factor, gives the scheme-independent quantity Z T RGI ( g 0 2 ) in four schemes and for a range of bare gauge couplings in which large volume hadronic matrix element simulations are performed by the CLS consortium in N f = 2 + 1 QCD. All four results are compatible and also agree with a recent determination based on a unitary setup for Wilson quarks with Schrödinger functional boundary conditions [arXiv:2309.04314]. This provides a strong universality test. Published by the American Physical Society 2024
Astronomy & Astrophysics↗
Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs
In recent years, a new kind of accelerated hardware has gained popularity in the artificial intelligence (AI) community which enables extremely high-performance tensor contractions in reduced precision for deep neural network calculations. In this article, we exploit Nvidia Tensor cores, a prototypical example of such AI-hardware, to develop a mixed precision approach for computing a dense matrix factorization of the inverse overlap matrix in electronic structure theory, S –1 . This factorization of S –1 , written as ZZT = S –1 , is used to transform the general matrix eigenvalue problem into a standard matrix eigenvalue problem. Here we present a mixed precision iterative refinement algorithm where Z is given recursively using matrix–matrix multiplications and can be computed with high performance on Tensor cores. To understand the performance and accuracy of Tensor cores, comparisons are made to GPU-only implementations in single and double precision. Additionally, we propose a nonparametric stopping criteria which is robust in the face of lower precision floating point operations. The algorithm is particularly useful when we have a good initial guess to Z, for example, from previous time steps in quantum-mechanical molecular dynamics simulations or from a previous iteration in a geometry optimization.
36 MATERIALS SCIENCE↗
Validating quantum-classical programming models with tensor network simulations
The exploration of hybrid quantum-classical algorithms and programming models on noisy near-term quantum hardware has begun. As hybrid programs scale towards classical intractability, validation and benchmarking are critical to understanding the utility of the hybrid computational model. In this paper, we demonstrate a newly developed quantum circuit simulator based on tensor network theory that enables intermediate-scale verification and validation of hybrid quantum-classical computing frameworks and programming models. We present our tensor-network quantum virtual machine (TNQVM) simulator which stores a multi-qubit wavefunction in a compressed (factorized) form as a matrix product state, thus enabling single-node simulations of larger qubit registers, as compared to brute-force statevector simulators. Our simulator is designed to be extensible in both the tensor network form and the classical hardware used to run the simulation (multicore, GPU, distributed). The extensibility of the TNQVM simulator with respect to the simulation hardware type is achieved via a pluggable interface for different numerical backends (e.g., ITensor and ExaTENSOR numerical libraries). We demonstrate the utility of our TNQVM quantum circuit simulator through the verification of randomized quantum circuits and the variational quantum eigensolver algorithm, both expressed within the eXtreme-scale ACCelerator (XACC) programming model.
97 MATHEMATICS AND COMPUTING↗
Implementation of a generalized coherent elastic scattering formulation for thermal neutron scattering analysis - 14487
The scattering interactions of thermal neutrons in matter are classified into inelastic and elastic components. In crystalline materials, coherent elastic scattering represents a dominant form of interaction. Traditionally, the treatment of this interaction in standard computer codes (e.g., the LEAPR module of the NJOY code system) was performed within the cubic approximation and restricted the analyst to a few materials that were hardwired into the code. In general, these restrictions can hinder the production of ENDF style thermal neutron scattering libraries for new materials outside the current portfolio of treated materials. In this work, a general formulation based on the exact theory of coherent elastic scattering was developed. This formulation is capable of processing the crystalline structure of any material. The cubic approximation is relaxed by accounting for the partial forces from asymmetric crystal structures in the calculation. The atom sites approximation is relaxed by utilizing a site-wise Debye-Waller factor. Specifically, the Debye-Waller factor is no longer regarded as a uniform constant across the crystal but treated as a matrix tensor that uses the integral of the partial phonon density of states. Therefore, the calculation of the coherent elastic scattering cross section is executed by applying the matrix-form of the Debye-Waller factor on each reciprocal space point and summing them up. Furthermore, the developed algorithm supports compounds with any number of elements and of any ratio to each other. This general formulation was successfully implemented and contributed to the production of ENDF style thermal neutron scattering libraries for silicon dioxide (α-SiO{sub 2}) and silicon carbide (3C-SiC). The needed input for the analysis was generated using density functional theory (DFT) atomistic simulations and dynamical matrix calculations for both materials. (authors)
42 ENGINEERING↗
Light-Front Holographic QCD
The relation between the hadronic short-distance constituent quark and gluon particle limit and the long-range confining domain is yet one of the most challenging aspects of particle physics due to the strong coupling nature of Quantum Chromodynamics, the fundamental theory of the strong interactions. The central question is how one can compute hadronic properties from first principles; i.e., directly from the QCD Lagrangian. The most successful theoretical approach thus far has been to quantize QCD on discrete lattices in Euclidean space-time. Lattice numerical results follow from computation of frame-dependent moments of distributions in Euclidean space and dynamical observables in Minkowski spacetime, such as the time-like hadronic form factors, are not amenable to Euclidean lattice computations. The Dyson-Schwinger methods have led to many important insights, such as the infrared fixed point behavior of the strong coupling constant, but in practice, the analyses are limited to ladder approximation in Landau gauge. Baryon spectroscopy and the excitation dynamics of nucleon resonances encoded in the nucleon transition form factors can provide fundamental insight into the strong-coupling dynamics of QCD. New theoretical tools are thus of primary interest for the interpretation of the results expected at the new mass scale and kinematic regions accessible to the JLab 12 GeV Upgrade Project. The AdS/CFT correspondence between gravity or string theory on a higher-dimensional anti-de Sitter (AdS) space and conformal field theories in physical space-time has led to a semiclassical approximation for strongly-coupled QCD, which provides physical insights into its nonperturbative dynamics. The correspondence is holographic in the sense that it determines a duality between theories in different number of space-time dimensions. This geometric approach leads in fact to a simple analytical and phenomenologically compelling nonperturbative approximation to the full light-front QCD Hamiltonian 'Light-Front Holography'. Light-Front Holography is in fact one of the most remarkable features of the AdS/CFT correspondence. The Hamiltonian equation of motion in the light-front (LF) is frame independent and has a structure similar to eigenmode equations in AdS space. This makes a direct connection of QCD with AdS/CFT methods possible. Remarkably, the AdS equations correspond to the kinetic energy terms of the partons inside a hadron, whereas the interaction terms build confinement and correspond to the truncation of AdS space in an effective dual gravity approximation. One can also study the gauge/gravity duality starting from the bound-state structure of hadrons in QCD quantized in the light-front. The LF Lorentz-invariant Hamiltonian equation for the relativistic bound-state system is P{sub {mu}}P{sup {mu}}|{psi}(P)> = (P{sup +}P{sup -} - P{sub {perpendicular}}{sup 2})|{psi}(P)> = M{sup 2}|{psi}(P)>, P{sup {+-}} = P{sup 0} {+-} P{sup 3}, where the LF time evolution operator P{sup -} is determined canonically from the QCD Lagrangian. To a first semiclassical approximation, where quantum loops and quark masses are not included, this leads to a LF Hamiltonian equation which describes the bound-state dynamics of light hadrons in terms of an invariant impact variable {zeta} which measures the separation of the partons within the hadron at equal light-front time {tau} = x{sup 0} + x{sup 3}. This allows us to identify the holographic variable z in AdS space with an impact variable {zeta}. The resulting Lorentz-invariant Schroedinger equation for general spin incorporates color confinement and is systematically improvable. Light-front holographic methods were originally introduced by matching the electromagnetic current matrix elements in AdS space with the corresponding expression using LF theory in physical space time. It was also shown that one obtains identical holographic mapping using the matrix elements of the energy-momentum tensor by perturbing the AdS metric around its static solution. A gravity dual to QCD is not known, but the mechanisms of confinement can be incorporated in the gauge/gravity correspondence by modifying the AdS geometry in the large infrared (IR) domain z {approx} 1 = {Lambda}{sub QCD}, which also sets the scale of the strong interactions. In this simplified approach we consider the propagation of hadronic modes in a fixed effective gravitational background asymptotic to AdS space, which encodes salient properties of the QCD dual theory, such as the ultraviolet (UV) conformal limit at the AdS boundary, as well as modifications of the background geometry in the large z IR region to describe confinement. The modified theory generates the point-like hard behavior expected from QCD, instead of the soft behavior characteristic of extended objects.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
An infinite swampland of U(1) charge spectra in 6D supergravity theories
We analyze the anomaly constraints on 6D supergravity theories with a single abelian U(1) gauge factor. For theories with charges restricted to q = ±1, ±2 and no tensor multiplets, anomaly-free models match those models that can be realized from F-theory compactifications almost perfectly. For theories with tensor multiplets or with larger charges, the F-theory constraints are less well understood. We show, however, that there is an infinite class of distinct massless charge spectra in the “swampland” of theories that satisfy all known quantum consistency conditions but do not admit a realization through F-theory or any other known approach to string compactification. We also compare the spectra of charged matter in abelian theories with those that can be realized from breaking nonabelian SU(2) and higher rank gauge symmetries.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
On the Lighthill relationship and sound generation from isotropic turbulence
In 1952, Lighthill developed a theory for determining the sound generated by a turbulent motion of a fluid. With some statistical assumptions, Proudman applied this theory to estimate the acoustic power of isotropic turbulence. Recently, Lighthill established a simple relationship that relates the fourth-order retarded time and space covariance of his stress tensor to the corresponding second-order covariance and the turbulent flatness factor, without making statistical assumptions for a homogeneous turbulence. Lilley revisited Proudman's work and applied the Lighthill relationship to evaluate directly the radiated acoustic power from isotropic turbulence. After choosing the time separation dependence in the two-point velocity time and space covariance based on the insights gained from direct numerical simulations, Lilley concluded that the Proudman constant is determined by the turbulent flatness factor and the second-order spatial velocity covariance. In order to estimate the Proudman constant at high Reynolds numbers, we analyzed a unique data set of measurements in a large wind tunnel and atmospheric surface layer that covers a range of the Taylor microscale based on Reynolds numbers 2.0 x 10(exp 3) less than or equal to R(sub lambda) less than or equal to 12.7 x 10(exp 3). Our measurements demonstrate that the Lighthill relationship is a good approximation, providing additional support to Lilley's approach. The flatness factor is found between 2.7 - 3.3 and the second order spatial velocity covariance is obtained. Based on these experimental data, the Proudman constant is estimated to be 0.68 - 3.68.
Zhou, YE↗
Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals
In this paper, we present theory and implementation of an efficient program for calculating magnetizabilities and rotational g tensors of closed-shell molecules at the level of local second-order Møller-Plesset perturbation theory (MP2) using London orbitals. Density fitting is employed to factorize the electron repulsion integrals with ordinary Gaussians as fitting functions. The presented program for the calculation of magnetizabilities and rotational g tensors is based on a previous implementation of NMR shielding tensors reported by S. Loibl and M. Schütz [J. Chem. Phys. 137, 084107 (2012)]. Extensive test calculations show (i) that the errors introduced by density fitting are negligible, and (ii) that the errors of the local approximation are still rather small, although larger than for nuclear magnetic resonance (NMR) shielding tensors. Electron correlation effects for magnetizabilities are tiny for most of the molecules considered here. MP2 appears to overestimate the correlation contribution of magnetizabilities such that it does not constitute an improvement over Hartree-Fock (when comparing to higher-order methods like CCSD(T)). For rotational g tensors the situation is different and MP2 provides a significant improvement in accuracy over Hartree-Fock. The computational performance of the new program was tested for two extended systems, the larger comprising about 2200 basis functions. It turns out that a magnetizability (or rotational g tensor) calculation takes about 1.5 times longer than a corresponding NMR shielding tensor calculation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Glue in hadrons at medium resolution and the QCD instanton vacuum
We discuss a general framework for the evaluation of the gluonic form factors in light hadrons at low momentum transfer, in the QCD instanton vacuum. At medium resolution of the order of the inverse mean instanton size, the glue is mostly localized in single or pairs of pseudoparticles and globally constrained by the fluctuations of their topological charges. These pseudoparticles trap light quarks, giving rise to emerging multiflavor ’t Hooft interactions. We explicitly evaluate the gluonic scalar, pseudoscalar, energy-momentum tensor (EMT), and the leading C -odd and C -even three-gluon hadronic form factors, at next to leading order in the instanton density, including molecular clusters of like and unlike instantons. We use the results for the EMT to address the contribution of the gluons in Ji’s mass and spin sum rules, at low resolution. When evolved, our results for the mass and spin composition of the nucleon are shown to be in good agreement with the recently reported lattice results at higher resolution. Published by the American Physical Society 2024
Astronomy & Astrophysics↗
Accessing the gravitational form factors of the nucleon and nuclei through a massive graviton
In contrast to the electromagnetic form factors of the nucleon and nuclei that have been extensively studied in electron scattering, there is no known way to directly measure the gravitational form factors (GFFs), the off-forward hadronic matrix element of the QCD energy-momentum tensor. I suggest exploring the possibility to access the GFFs of the proton and nuclei in conjunction with massive graviton searches at future TeV-scale lepton-ion colliders. Published by the American Physical Society 2024
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Mechanical form factors and densities of nonrelativistic fermions
The hadron physics community has been actively debating the interpretation of so-called mechanical properties of hadrons. Nonrelativistic quantum-mechanical systems like the hydrogen atom have been appealed to in these debates as analogies. Since such appeals are likely to continue, it is important to have Galilei-covariant expressions for matrix elements of the energy-momentum tensor. In this work, I obtain Galilei-covariant breakdowns of such matrix elements into mechanical form factors, with a special focus on spin-half states. I additionally study the spatial densities associated with these form factors, using the pilot wave interpretation to guide their breakdown into contributions from internal structure and from quantum-mechanical effects such as wave packet dispersion. For completeness, I also obtain nonrelativistic Breit frame densities.
form factors↗
$Λ_b →Λℓ^+ℓ^-$ form factors, differential branching fraction, and angular observables from lattice QCD with relativistic $\mathcal{b}$ quarks
Using (2+1)-flavor lattice QCD, we compute the 10 form factors describing the Λb→Λ matrix elements of the b→s vector, axial vector, and tensor currents. The calculation is based on gauge field ensembles generated by the RBC and UKQCD Collaborations with a domain-wall action for the u, d, and s quarks and the Iwasaki gauge action. The b quark is implemented using an anisotropic clover action, tuned nonperturbatively to the physical point, and the currents are renormalized with a mostly nonperturbative method. Here we perform simultaneous chiral, continuum, and kinematic extrapolations of the form factors through modified z expansions. Using our form factor results, we obtain precise predictions for the Λb→Λ(→p + π - )μ + μ - differential branching fraction and angular observables in the Standard Model.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Magnetic interactions and spin dynamics in the bond-disordered pyrochlore fluoride NaCaCo 2 F 7
We report high-frequency/high-field electron spin resonance (ESR) and high-field magnetization studies on single crystals of the bond-disordered pyrochlore NaCaCo 2 F 7 . Frequency- and temperature-dependent ESR investigations above the freezing temperature T f ~ 2.4 K reveal the coexistence of two distinct magnetic phases. Here, a cooperative paramagnetic phase, evidenced by a gapless excitation mode, is found along with a spin-glass phase developing below 20 K which is associated with a gapped low-energy excitation. Effective g factors close to 2 are obtained for both modes, in line with pulsed high-field magnetization measurements which show an unsaturated isotropic behavior up to 58 T at 2 K. In order to describe the field-dependent magnetization in high magnetic fields, we propose an empirical model accounting for highly anisotropic ionic g tensors expected for this material and taking into account the strongly competing interactions between the spins which lead to a frustrated ground state. As a detailed quantitative relation between effective g factors as determined from ESR and the local g tensors obtained by neutron scattering is still sought after, our work motivates further theoretical investigations of the low-energy excitations in bond-disordered pyrochlores.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Data-Driven Insights into the Structural Essence of Plasticity in High-Entropy Alloys
The heterogeneous mechanical response of a crystalline alloy with multiple principal elements was investigated using molecular dynamics simulations. The local configuration of the alloy in its quiescent state was characterized by the variables derived from the gyration tensor and the atomic electronegativity. A multivariate analysis identified the geometric and chemical factors that influenced the atomic packing variations. Further, upon straining, the non-affine displacement exhibited spatial heterogeneity. A statistical correlation was established between the local yield events and the specific features of the local configuration. Our findings, validated by the performance metrics analysis, provided a structural criterion for the instability mechanisms in high-entropy alloys (HEAs) and enhanced the understanding of their plasticity.
36 MATERIALS SCIENCE↗
Convolution Lagrangian perturbation theory for biased tracers beyond general relativity
We compare analytic predictions for real and Fourier space two-point statistics for biased tracers from a variety of Lagrangian perturbation theory approaches against those from state of the art N-body simulations in f(R) Hu-Sawicki and the nDGP braneworld modified gravity theories. We show that the novel physics of gravitational collapse in scalar tensor theories with the chameleon or the Vainshtein screening mechanism can be effectively factored in with bias parameters analytically predicted using the peak-background split formalism when updated to include the environmental sensitivity of modified gravity theories as well as changes to the halo mass function. Here, we demonstrate that convolution Lagrangian perturbation theory (CLPT) and standard perturbation theory (SPT) approaches provide accurate analytic methods to predict the correlation function and power spectra, respectively, for biased tracers in modified gravity models and are able to characterize both the baryon acoustic oscillation, power-law, and small scale regimes needed for upcoming galaxy surveys such as DESI, Euclid, LSST and WFIRST.
79 ASTRONOMY AND ASTROPHYSICS↗
Near-Efficient and Non-Asymptotic Multiway Inference
We establish non-asymptotic efficiency guarantees for tensor decomposition–based inference in count data models. Under a Poisson framework, we consider two related goals: (i) parametric inference , the estimation of the full distributional parameter tensor, and (ii) multiway analysis , the recovery of its canonical polyadic (CP) decomposition factors. Our main result shows that in the rank-one setting, a rank-constrained maximum-likelihood estimator achieves multiway analysis with variance matching the Cramér–Rao Lower Bound (CRLB) up to absolute constants and logarithmic factors. This provides a general framework for studying “near-efficient” multiway estimators in finite-sample settings. For higher ranks, we illustrate that our multiway estimator may not attain the CRLB; nevertheless, CP-based parametric inference remains nearly minimax optimal, with error bounds that improve on prior work by offering more favorable dependence on the CP rank. Numerical experiments corroborate near-efficiency in the rank-one case and highlight the efficiency gap in higher-rank scenarios.
97 MATHEMATICS AND COMPUTING↗
The energy-momentum tensor of spin-1 hadrons: formalism
We provide the complete decomposition of the local gauge-invariant energy-momentum tensor for spin-1 hadrons, including non-conserved terms for the individual parton flavors and antisymmetric contributions originating from intrinsic spin. We state sum rules for the gravitational form factors appearing in this decomposition and provide relations for the mass decomposition, work balance, total and orbital angular momentum, mass radius, and inertia tensor. Generalizing earlier work, we derive relations between the total and orbital angular momentum and the Mellin moments of twist-2 and 3 generalized parton distributions, accessible in hard exclusive processes with spin-1 targets. Throughout the work, we comment on the unique features in these relations originating from the spin-1 nature of the hadron, being absent in the lower spin cases.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗