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Results for “functional renormalization group”

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At least 217 records · Page 12
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DOE OSTI2025

Anisotropic jet broadening and jet shape

In this paper, we explore the use of jet substructure as a way of probing phenomena which break the isotropic behavior of jets, such as jet propagation through an anisotropically flowing quark-gluon plasma or spin correlations. We introduce two novel observables for this purpose: the azimuthal-dependent jet broadening and the azimuthal-dependent jet shape, which generalize the traditional isotropic substructure studies. Using Soft-Collinear Effective Theory, we explicitly calculate the jet functions associated with these observables with a standard jet axis and with a Winner-Take-All jet axis in both the resummed and fixed order limits. While our analysis first and foremost establishes the formalism for the azimuthal-dependent jet substructure, it also brings to light new results for jet substructure in the azimuthally integrated case, such as the semi-inclusive jet function and the exclusive jet shape for the Winner-Take-All axis, and the jet broadening in the fixed order region. As an illustrative example for the new formalism we demonstrate that the azimuthal-dependent jet broadening can be used as a direct probe of the transversity parton distribution function in deep inelastic scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

d -Electron Heavy Fermion Behavior in a Near-Room-Temperature Polar Metallic Ferrimagnet: A Case of Mn 5 SiC

Polycrystalline Mn 5 SiC was synthesized by using a high-temperature solid-state method. Mn 5 SiC adopts a polar space group (Cmc2 1 ) with six crystallographic Mn sites confirmed by X-ray and neutron diffraction, transmission electron microscopy, and second harmonic generation experiments. The complex crystal structure features edge-sharing trigonal prisms and icosahedra, as well as face/edge-sharing pentagonal prisms. Magnetic measurements indicate ferrimagnetic ordering with a transition temperature of 284 K. The ferrimagnetic structure (magnetic space group Cm’c’2 1 ) was further identified by powder neutron diffraction, where collinear Mn spins align along the crystallographic c-axis. The refined magnetic moment for each crystallographic Mn site at 4 K is 1.8(2), −2.42(9), −1.72(8), 0.51(6), 0.50(4), and 1.7(2) μ B . Density functional theory calculations confirm both the metallic behavior and the ferrimagnetic structure observed experimentally and further provide insight into the observed Mn moment dependence across crystallographic sites. The resistivity and specific heat measurements and density functional theory calculations reveal a substantially large Kadowaki–Woods ratio of 5 × 10 –5 μΩ·cm/(mJ/mol) 2 and a many-body renormalization factor of 5.5, indicating the unusual heavy Fermion behavior in such an itinerant magnetic metal.

Messegee, Zachary T. [George Mason University, Fai↗
DOE OSTI2025

Transverse momentum distributions at large- x

We investigate the collinear matching of transverse momentum dependent (TMD) distributions at large values of x, computing and resumming the leading large-x asymptotics for matching coefficients. The large-x resummation is done directly within TMD distributions, ensuring the process-independence of the result. The derived resummation formulas are valid for all TMD distributions (except the pretzelosity). Their application improves perturbative convergence, provides practical estimation for unknown higher-order contributions, and sets restrictions for the nonperturbative part of models. Using the known anomalous dimensions, resummation can reach N 3 LL, often exceeding the accuracy of known coefficient functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites

All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelectronic materials, properties that are missing in their prominent lead-containing counterparts. Their large thermopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, in this work, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs 2 SnI 6 and γ-CsSnI 3 , two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (κ l ) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated κ l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to κ l , arising from wave like phonon tunneling, are important in both compounds. Overall, calculated κ l with temperature-dependent interatomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs 2 SnI 6 and γ-CsSnI 3 , respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dihadron correlations in small- x DIS at NLO: transverse momentum dependent fragmentation

We compute the inclusive dihadron cross-section in Deep Inelastic Scattering at next-to-leading order (NLO) and small x in the Color Glass Condensate. We focus on the kinematic limit where the hadrons are produced at forward rapidities (in the direction of the virtual photon) and back-to-back in the transverse plane. Our calculation demonstrates that the coefficient of the Sudakov double logarithm for this process is –$\frac{αs}{2π}$ [C F + $\frac{Nc}{2}$] instead of –$\frac{αsNc}{4π}$ when back-to-back jets are measured in the final state. To preserve the universality of the Sudakov soft factor associated with the Weizsäcker-Williams transverse momentum dependent (TMD) gluon distribution, we promote the collinear fragmentation functions into TMD fragmentation functions. We then perform the resummation of the Sudakov logarithms through Collins-Soper-Sterman evolution of the TMD fragmentation functions and the Weizsäcker-Williams TMD gluon distribution. Finally, analytic expressions are obtained for the NLO coefficient functions in the $\overline{MS}$-scheme. These results pave the way towards numerically calculating dihadron correlations at small x at the future Electron-Ion Collider with full NLO accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Form factors and spectral densities from Lightcone Conformal Truncation

We use the method of Lightcone Conformal Truncation (LCT) to obtain form factors and spectral densities of local operators $\mathcal{O}$ in $\phi^4$ theory in two dimensions. We show how to use the Hamiltonian eigenstates from LCT to obtain form factors that are matrix elements of a local operator $\mathcal{O}$ between single-particle bra and ket states, and we develop methods that significantly reduce errors resulting from the finite truncation of the Hilbert space. We extrapolate these form factors as a function of momentum to the regime where, by crossing symmetry, they are form factors of $\mathcal{O}$ between the vacuum and a two-particle asymptotic scattering state. We also compute the momentum-space time-ordered two-point functions of local operators in LCT. These converge quickly at momenta away from branch cuts, allowing us to indirectly obtain the time-ordered correlator and the spectral density at the branch cuts. We focus on the case where the local operator $\mathcal{O}$ is the trace Θ of the stress tensor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

QCD running couplings and effective charges

Here we discuss our present knowledge of $\alpha_s$, the fundamental running coupling or effective charge of Quantum Chromodynamics (QCD). A precise understanding of the running of $\alpha_s(Q^2) $ at high momentum transfer, $Q$, is necessary for any perturbative QCD calculation. Equally important, the behavior of $\alpha_s$} at low $Q^2$ in the nonperturbative QCD domain is critical for understanding strong interaction phenomena, including the emergence of mass and quark confinement. The behavior of $\alpha_s(Q^2)$ at all momentum transfers also provides a connection between perturbative and nonperturbative QCD phenomena, such as hadron spectroscopy and dynamics. We first sketch the origin of the QCD coupling, the reason why its magnitude depends on the scale at which hadronic phenomena are probed, and the resulting consequences for QCD phenomenology. We then summarize latest measurements in both the perturbative and nonperturbative domains. New theory developments include the derivation of the universal nonperturbative behavior of $\alpha_s(Q^2)$ from both the Dyson-Schwinger equations and light-front holography. We also describe theory advances for the calculation of gluon and quark Schwinger functions in the nonperturbative domain and the relation of these quantities to $\alpha_s$. We conclude by highlighting how the nonperturbative knowledge of $\alpha_s$ is now providing a parameter-free determination of hadron spectroscopy and structure, a central and long-sought goal of QCD studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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 OSTI2024

Entanglement Renormalization for Quantum Field Theories with Discrete Wavelet Transforms

We propose an adaptation of Entanglement Renormalization for quantum field theories that, through the use of discrete wavelet transforms, strongly parallels the tensor network architecture of the Multiscale Entanglement Renormalization Ansatz (a.k.a. MERA). Our approach, called wMERA, has several advantages of over previous attempts to adapt MERA to continuum systems. In particular, (i) wMERA is formulated directly in position space, hence preserving the quasi-locality and sparsity of entanglers; and (ii) it enables a built-in RG flow in the implementation of real-time evolution and in computations of correlation functions, which is key for efficient numerical implementations. As examples, we describe in detail two concrete implementations of our wMERA algorithm for free scalar and fermionic theories in (1+1) spacetime dimensions. Possible avenues for constructing wMERAs for interacting field theories are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes

Iron–sulfur clusters comprise an important functional motif in the catalytic centers of biological systems, capable of enabling important chemical transformations at ambient conditions. This remarkable capability derives from a notoriously complex electronic structure that is characterized by a high density of states that is sensitive to geometric changes. The spectral sensitivity to subtle geometric changes has received little attention from correlated, large active space calculations, owing partly to the exceptional computational complexity for treating these large and correlated systems accurately. Here, to provide insight into this aspect, we report the first Complete Active Space Self Consistent Field (CASSCF) calculations for different geometries of the [Fe(II/III) 4 S 4 (SMe) 4 ] -2 clusters using two complementary, correlated solvers: spin-pure Adaptive Sampling Configuration Interaction (ASCI) and Density Matrix Renormalization Group (DMRG). We find that the previously established picture of a double-exchange driven magnetic structure, with minute energy gaps (<1 mHa) between consecutive spin states, has a weak dependence on the underlying geometry. However, the spin gap between the singlet and the spin state 2S + 1 = 19, corresponding to a maximal number of Fe-d electrons being unpaired and of parallel spin, is strongly geometry dependent, changing by a factor of 3 upon slight deformations that are still within biologically relevant parameters. The CASSCF orbital optimization procedure, using active spaces as large as 86 electrons in 52 orbitals, was found to reduce this gap compared to typical mean-field orbital approaches. Our results show the need for performing large active space calculations to unveil the challenging electronic structure of these complex catalytic centers and should serve as accurate starting points for fully correlated treatments upon inclusion of dynamical correlation outside the active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Transverse momentum distributions of heavy hadrons and polarized heavy quarks

We initiate the study of transverse momentum-dependent (TMD) fragmentation functions for heavy quarks, demonstrate their factorization in terms of novel nonperturbative matrix elements in heavy-quark effective theory (HQET), and prove new TMD sum rules that arise from heavy-quark spin symmetry. We discuss the phenomenology of heavy-quark TMD FFs at B factories and find that the Collins effect, in contrast to claims in the literature, is not parametrically suppressed by the heavy-quark mass. We further calculate all TMD parton distribution functions for the production of heavy quarks from polarized gluons within the nucleon and use our results to demonstrate the potential of the future EIC to resolve TMD heavy-quark fragmentation in semi-inclusive DIS, complementing the planned EIC program to use heavy quarks as probes of gluon distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Open quantum system approach to inclusive jet production in heavy-ion collisions

We derive a factorization formula for inclusive jet production in heavy-ion collisions using the tools of Effective Field Theory (EFT). We show how physics at widely separated scales in this process can be systematically separated by matching to EFTs at successively lower virtualities. Owing to a strong scale separation, we recover a vacuum-like DGLAP evolution above the jet scale, while the additional low-energy scales induced by the medium effectively probe the internal structure of the jet. As a result, the cross section can be written as a series with an increasing number of subjets characterized by perturbative matching coefficients each of which is convolved with a distinct function. These functions encode broadening, medium-induced radiations as well as quantum interference such as the Landau-Pomeranchuk-Migdal effect and color coherence dynamics to all orders in perturbation theory. As a first application of this EFT framework, we investigate the case of an unresolved jet and show how the cross section can be factorized and fully separate the jet dynamics from the universal physics of the medium. To compare to the existing literature, we explicitly compute the medium jet function at next-to-leading order in the coupling and leading order in medium opacity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A time-dependent momentum-resolved scattering approach to core-level spectroscopies

While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Next-to-next-to-leading power corrections to unpolarized Semi-Inclusive Deep Inelastic Scattering

Semi-Inclusive Deep Inelastic Scattering (SIDIS) is a key tool for exploring the three-dimensional structure of the nucleon through Transverse Momentum Dependent parton distributions and fragmentation functions. While leading-power contributions to the SIDIS cross-section are well established, next-to-leading power (NLP) corrections of order 1/Q and next-to-next-to-leading power (NNLP) corrections of order 1/Q 2 to the hadronic tensor have only recently begun to be systematically investigated. These corrections are essential for reliable phenomenology and interpretation of modern high-precision data. In recent papers by one of the authors, NNLP corrections to the Drell-Yan process were derived using the rapidity factorization formalism. In the present work, we extend this approach to SIDIS and obtain analytic expressions for the unpolarized structure functions. We derive NNLP corrections that include convolutions of unpolarized distributions, f 1 , with unpolarized fragmentation functions, D 1 , and Boer-Mulders functions, ${h}_1^{\perp }$, with Collins fragmentation functions, ${H}_1^{\perp }$. We compare our results with previous formulations, provide numerical studies, confront our predictions with HERMES and COMPASS measurements, and present predictions for future experiments at Jefferson Lab and the Electron-Ion Collider.

deep inelastic scattering↗
DOE OSTI2020

Subleading power resummation of rapidity logarithms: the energy-energy correlator in $ \mathcal{N} $ = 4 SYM

We derive and solve renormalization group equations that allow for the resummation of subleading power rapidity logarithms. Our equations involve operator mixing into a new class of operators, which we term the “rapidity identity operators”, that will generically appear at subleading power in problems involving both rapidity and virtuality scales. To illustrate our formalism, we analytically solve these equations to resum the power suppressed logarithms appearing in the back-to-back (double light cone) limit of the Energy-Energy Correlator (EEC) in \( \mathcal{N} \) = 4 super-Yang-Mills. These logarithms can also be extracted to \( \mathcal{O}\left({\alpha}_s^3\right) \) from a recent perturbative calculation, and we find perfect agreement to this order. Instead of the standard Sudakov exponential, our resummed result for the subleading power logarithms is expressed in terms of Dawson’s integral, with an argument related to the cusp anomalous dimension. We call this functional form “Dawson’s Sudakov”. Our formalism is widely applicable for the resummation of subleading power rapidity logarithms in other more phenomenologically relevant observables, such as the EEC in QCD, the p T spectrum for color singlet boson production at hadron colliders, and the resummation of power suppressed logarithms in the Regge limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Discontinuity in RG flows across dimensions: entanglement, anomaly coefficients and geometry

We study the entanglement entropy associated with a holographic RG flow from AdS 7 to AdS 4 × $\mathbb{H}$ 3 , where $\mathbb{H}$ 3 is a 3-dimensional hyperbolic manifold with curvature κ. The dual six-dimensional RG flow is disconnected from Lorentz-invariant flows. In this context we address various notions of central charges and identify a monotonic candidate c-function that captures IR aspects of the flow. The UV behavior of the holographic entanglement entropy and, in particular its universal term, display an interesting dependence on the curvature, κ. We then contrast our holographic results with existing field theory computations in six dimensions and find a series of new corrections in curvature to the universal term in the entanglement entropy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A fragmentation approach to jet flavor

An intuitive definition of the partonic flavor of a jet in quantum chromodynamics is often only well-defined in the deep ultraviolet, where the strong force becomes a free theory and a jet consists of a single parton. However, measurements are performed in the infrared, where a jet consists of numerous particles and requires an algorithmic procedure to define their phase space boundaries. To connect these two regimes, we introduce a novel and simple partonic jet flavor definition in the infrared. We define the jet flavor to be the net flavor of the partons that lie exactly along the direction of the Winner-Take-All recombination scheme axis of the jet, which is safe to all orders under emissions of soft particles, but is not collinear safe. Collinear divergences can be absorbed into a perturbative fragmentation function that describes the evolution of the jet flavor from the ultraviolet to the infrared. The evolution equations are linear and a small modification to traditional DGLAP and we solve them to leading-logarithmic accuracy. The evolution equations exhibit fixed points in the deep infrared, we demonstrate quantitative agreement with parton shower simulations, and we present various infrared and collinear safe observables that are sensitive to this flavor definition.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Three-loop soft function for energetic electroweak boson production at hadron colliders

We calculate the three-loop soft function for the production of an electroweak boson (Higgs, γ , W ± , Z ) with large transverse momentum at a hadron collider. It is the first time a soft function for a three-parton process is computed at next-to-next-to-next-to-leading order (N 3 LO). As a technical novelty, we perform the calculation in terms of forward-scattering-type loop diagrams rather than evaluating phase space integrals. Our three-loop result contains color-tripole contributions and explicitly confirms predictions on the universal infrared structure of QCD scattering amplitudes with three massless parton legs. The soft function is a central ingredient in the factorized cross section for electroweak boson production near the kinematic endpoint (threshold), where the invariant mass of the recoiling hadronic radiation is small compared to its transverse momentum. Our result is required for predictions of the near-threshold cross sections at N 3 LO and for the resummation of threshold logarithms at primed next-to-next-to-next-to-leading logarithmic (N 3 LL') accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗