arXiv subjects

R. J. Furnstahl

Publications and source records attributed to R. J. Furnstahl.

At least 37 records · Page 2Linked to original sources

arXiv2022

Nuclear properties with semilocal momentum-space regularized chiral interactions beyond N2LO

We present a comprehensive investigation of few-nucleon systems as well as light and medium-mass nuclei up to $A=48$ using the current Low Energy Nuclear Physics International Collaboration two-nucleon interactions in combination with the third-order (N$^2$LO) three-nucleon forces. To address the systematic overbinding of nuclei starting from $A \sim 10$ found in our earlier study utilizing the N$^2$LO two- and three-nucleon forces, we take into account higher-order corrections to the two-nucleon potentials up through fifth order in chiral effective field theory. The resulting Hamiltonian can be completely determined using the $A=3$ binding energies and selected nucleon-deuteron cross sections as input. It is then shown to predict other nucleon-deuteron scattering observables and spectra of light $p$-shell nuclei, for which a detailed correlated truncation error analysis is performed, in agreement with experimental data. Moreover, the predicted ground state energies of nuclei in the oxygen isotopic chain from $^{14}$O to $^{26}$O as well as $^{40}$Ca and $^{48}$Ca show a remarkably good agreement with experimental values, given that the Hamiltonian is fixed completely from the $A \leq 3$ data, once the fourth-order (N$^3$LO) corrections to the two-nucleon interactions are taken into account. On the other hand, the charge radii are found to be underpredicted by $\sim 10\%$ for the oxygen isotopes and by almost $20\%$ for $^{40}$Ca and $^{48}$Ca.

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arXiv2022

Renormalization group evolution of optical potentials: explorations using a toy model

To take full advantage of experimental facilities such as FRIB for applications to nuclear astrophysics, nuclear structure, and explorations of neutrinos and fundamental symmetries, we need a better understanding of the interplay of reaction and structure theory. The renormalization group (RG) is the natural tool for maintaining a consistent treatment of reaction and structure. Here we make a first study of RG for optical potentials, which are important ingredients for direct reactions. To simplify the analysis, we use a pedagogical one-dimensional model and evolve toward low RG resolution using the similarity RG (or SRG). We show how SRG decoupling at low resolution carries over to the optical potential and enhances perturbative approximations, and how induced SRG nonlocality compares to the nonlocality of the optical potential. We discuss the results in the larger context of consistent SRG evolution of operators and wave functions in the analysis of direct reactions.

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arXiv2022

The quasi-deuteron model at low RG resolution

The quasi-deuteron model introduced by Levinger is used to explain cross sections for knocking out high-momentum protons in photo-absorption on nuclei. This is within a framework we characterize as exhibiting high renormalization group (RG) resolution. Assuming a one-body reaction operator, the nuclear wave function must include two-body short-range correlations (SRCs) with deuteron-like quantum numbers. In a previous paper, we showed that SRC physics can be naturally accounted for at low RG resolution. Here we describe the quasi-deuteron model at low RG resolution and determine the Levinger constant, which is proportional to the ratio of nuclear photo-absorption to that for photo-disintegration of a deuteron. We extract the Levinger constant based on the ratio of momentum distributions at high relative momentum. We compute momentum distributions evolved under similarity RG (SRG) transformations, where the SRC physics is shifted into the operator as a universal two-body term. The short-range nature of this operator motivates using local-density approximations with uncorrelated wave functions in evaluating nuclear matrix elements, which greatly simplifies the analysis. The operator must be consistently matched to the RG scale and scheme of the interaction for a reliable extraction. We apply SRG transformations to different nucleon-nucleon (NN) interactions and use the deuteron wave functions and Weinberg eigenvalues to determine approximate matching scales. We predict the Levinger constant for several NN interactions and a wide range of nuclei comparing to experimental extractions. The predictions at low RG resolution are in good agreement with experiment when starting with a hard NN interaction and the initial operator. Similar agreement is found using soft NN interactions when the additional two-body operator induced by evolution from hard to soft is included.

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arXiv2022

Model reduction methods for nuclear emulators

The field of model order reduction (MOR) is growing in importance due to its ability to extract the key insights from complex simulations while discarding computationally burdensome and superfluous information. We provide an overview of MOR methods for the creation of fast & accurate emulators of memory- and compute-intensive nuclear systems. As an example, we describe how "eigenvector continuation" is a special case of a much more general and well-studied MOR formalism for parameterized systems. We continue with an introduction to the Ritz and Galerkin projection methods that underpin many such emulators, while pointing to the relevant MOR theory and its successful applications along the way. We believe that this will open the door to broader applications in nuclear physics and facilitate communication with practitioners in other fields.

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arXiv2022

Rigorous constraints on three-nucleon forces in chiral effective field theory from fast and accurate calculations of few-body observables

We explore the constraints on the three-nucleon force (3NF) of chiral effective field theory ($χ$EFT) that are provided by bound-state observables in the $A=3$ and $A=4$ sectors. Our statistically rigorous analysis incorporates experimental error, computational method uncertainty, and the uncertainty due to truncation of the $χ$EFT expansion at next-to-next-to-leading order. A consistent solution for the ${}^3$H binding energy, the ${}^4$He binding energy and radius, and the ${}^3$H $β$-decay rate can only be obtained if $χ$EFT truncation errors are included in the analysis. All of these except the $β$-decay rate give essentially degenerate constraints on the 3NF low-energy constants, so it is crucial for estimating these parameters. We use eigenvector continuation for fast and accurate emulation of No-Core Shell Model calculations of the considered few-nucleon observables. This facilitates sampling of the posterior probability distribution, allowing us to also determine the distributions of the hyperparameters that quantify the truncation error. We find a $χ$EFT expansion parameter of $Q=0.33 \pm 0.06$ for these observables.

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arXiv2021

Origin of Chirality in the Molecules of Life

Molecular chirality is inherent to biology and cellular chemistry. In this report, the origin of enantiomeric selectivity is analyzed from the viewpoint of the "RNA World" model, based on the autocatalytic self-replication of glyceraldehyde as a precursor for simple sugars, and in particular ribose, as promoted by the formose reaction. Autocatalytic coupling of formaldehyde and glycolaldehyde produces glyceraldehyde, which contains a chiral carbon center that is carried through in formation of the ribose ring. The parity non-conserving weak interaction is the only inherently handed property in nature and is herein shown to be sufficient to differentiate between two enantiomeric forms in an autocatalytic reaction performed over geologically relevant time scales, but only in the presence of a catalytic metal ion such as divalent calcium or higher Z alkaline earth elements. This work details calculations of the magnitude of the effect, the impact of various geologically-available metal ions, and the influence on evolution and dominance of chirality in the molecules of life.

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arXiv2021

Fast emulation of quantum three-body scattering

We develop a class of emulators for solving quantum three-body scattering problems. They are based on combining the variational method for scattering observables and the recently proposed eigenvector continuation concept. The emulators are first trained by the exact scattering solutions of the governing Hamiltonian at a small number of points in its parameter space, and then employed to make interpolations and extrapolations in that space. Through a schematic nuclear-physics model with finite-range two and three-body interactions, we demonstrate the emulators to be extremely accurate and efficient. The computing time for emulation is on the scale of milliseconds (on a laptop), with relative errors ranging from $10^{-13}$ to $10^{-4}$ depending on the case. The emulators also require little memory. We argue that these emulators can be generalized to even more challenging scattering problems. Furthermore, this general strategy may be applicable for building the same type of emulators in other fields, wherever variational methods can be developed for evaluating physical models.

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arXiv2021

Short-range correlation physics at low RG resolution

Recent experiments have succeeded in isolating processes for which short-range correlation (SRC) physics is dominant and well accounted for by SRC phenomenology. But an alternative and compelling picture emerges from renormalization group (RG) evolution to low RG resolution. At high RG resolution, SRCs are identified as components in the nuclear wave function with relative pair momenta greater than the Fermi momentum. Scale separation results in wave-function factorization that can be exploited with phenomenologies such as the generalized contact formalism or the low-order correlation operator approximation. Evolution to lower resolution shifts SRC physics from nuclear structure to the reaction operators without changing the measured observables. We show how the features of SRC phenomenology manifested at high RG resolution are cleanly identified at low RG resolution using simple two-body operators and local-density approximations with uncorrelated wave functions, all of which can be systematically generalized. We verify that the experimental consequences to date follow directly at low resolution from well-established properties of nucleon-nucleon interactions such as the tensor force. Thus the RG reconciles the contrasting pictures of the same experiment and shows how to get correct results using wave functions without SRC components. Our demonstration has implications for the analysis of knock-out reactions for which SRC physics is not cleanly isolated.

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arXiv2021

Fast & accurate emulation of two-body scattering observables without wave functions

We combine Newton's variational method with ideas from eigenvector continuation to construct a fast & accurate emulator for two-body scattering observables. The emulator will facilitate the application of rigorous statistical methods for interactions that depend smoothly on a set of free parameters. Our approach begins with a trial $K$ or $T$ matrix constructed from a small number of exact solutions to the Lippmann--Schwinger equation. Subsequent emulation only requires operations on small matrices. We provide several applications to short-range potentials with and without the Coulomb interaction and partial-wave coupling. It is shown that the emulator can accurately extrapolate far from the support of the training data. When used to emulate the neutron-proton cross section with a modern chiral interaction as a function of 26 free parameters, it reproduces the exact calculation with negligible error and provides an over 300x improvement in CPU time.

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arXiv2021

Nuclear Structure at the Crossroads

Steven Weinberg's seminal papers from 1990-92 initiated the use of effective field theories (EFTs) for nuclei. We summarize progress, priorities, and open questions for nuclear EFT developments based on the 2019 INT program "Nuclear Structure at the Crossroads."

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arXiv2021

Get on the BAND Wagon: A Bayesian Framework for Quantifying Model Uncertainties in Nuclear Dynamics

We describe the Bayesian Analysis of Nuclear Dynamics (BAND) framework, a cyberinfrastructure that we are developing which will unify the treatment of nuclear models, experimental data, and associated uncertainties. We overview the statistical principles and nuclear-physics contexts underlying the BAND toolset, with an emphasis on Bayesian methodology's ability to leverage insight from multiple models. In order to facilitate understanding of these tools we provide a simple and accessible example of the BAND framework's application. Four case studies are presented to highlight how elements of the framework will enable progress on complex, far-ranging problems in nuclear physics. By collecting notation and terminology, providing illustrative examples, and giving an overview of the associated techniques, this paper aims to open paths through which the nuclear physics and statistics communities can contribute to and build upon the BAND framework.

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arXiv2021

Designing Optimal Experiments: An Application to Proton Compton Scattering

Interpreting measurements requires a physical theory, but the theory's accuracy may vary across the experimental domain. To optimize experimental design, and so to ensure that the substantial resources necessary for modern experiments are focused on acquiring the most valuable data, both the theory uncertainty and the expected pattern of experimental errors must be considered. We develop a Bayesian approach to this problem, and apply it to the example of proton Compton scattering. Chiral Effective Field Theory ($χ$EFT) predicts the functional form of the scattering amplitude for this reaction, so that the electromagnetic polarizabilities of the nucleon can be inferred from data. With increasing photon energy, both experimental rates and sensitivities to polarizabilities increase, but the accuracy of $χ$EFT decreases. Our physics-based model of $χ$EFT truncation errors is combined with present knowledge of the polarizabilities and reasonable assumptions about experimental capabilities at HI$γ$S and MAMI to assess the information gain from measuring specific observables at specific kinematics, \emph{i.e.}, to determine the relative amount by which new data are apt to shrink uncertainties. The strongest gains would likely come from new data on the spin observables $Σ_{2x}$ and $Σ_{2x^\prime}$ at $ω\simeq140$ to $200$ MeV and $40^\circ$ to $120^\circ$. These would tightly constrain $γ_{E1E1}-γ_{E1M2}$. New data on the differential cross section between $100$ and $200$\,MeV and over a wide angle range will substantially improve constraints on $α_{E1}-β_{M1}$, $γ_π$ and $γ_{M1M1}-γ_{M1E2}$. Good signals also exist around $160$ MeV for $Σ_3$ and $Σ_{2z^\prime}$. Such data will be pivotal in the continuing quest to pin down the scalar polarizabilities and refine understanding of the spin polarizabilities.

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arXiv2021

Comparing different density-matrix expansions for long-range pion exchange

Empirical energy density functionals (EDFs) are generally successful in describing nuclear properties across the table of nuclides. But their limitations motivate using the density-matrix expansion (DME) to embed long-range pion interactions into a Skyrme functional. Recent results on the impact of the pion were both encouraging and puzzling, necessitating a careful re-examination of the DME implementation. Here we take the first steps, focusing on two-body scalar terms in the DME. Exchange energies with long-range one-pion contributions are well approximated by all DME implementations considered, with preference for variants that do not truncate at two derivatives in every EDF term. The use of the DME for chiral pion contributions is therefore supported by this investigation. For scalar-isovector energies it is important to treat neutrons and protons separately. The results are found to apply under broad conditions, although self-consistency is not yet tested.

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arXiv2021

Efficient emulators for scattering using eigenvector continuation

Eigenvector continuation EC has been shown to accurately and efficiently reproduce ground states for targeted sets of Hamiltonian parameters. It uses as variational basis vectors the corresponding ground-state eigensolutions from selected other sets of parameters. Here we extend the EC approach to scattering using the Kohn variational principle. We first test it using a model for S-wave nucleon-nucleon scattering and then demonstrate that it also works to give accurate predictions for non-local potentials, charged-particle scattering, complex optical potentials, and higher partial waves. These proofs-of-principle validate EC as an accurate emulator for applying Bayesian inference to parameter estimation constrained by scattering observables. The efficiency of such emulators is because the accuracy is achieved with a small number of variational basis elements and the central computations are just linear algebra calculations in the space spanned by this basis.

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arXiv2021

Quantifying uncertainties and correlations in the nuclear-matter equation of state

We perform statistically rigorous uncertainty quantification (UQ) for chiral effective field theory ($χ$EFT) applied to infinite nuclear matter up to twice nuclear saturation density. The equation of state (EOS) is based on high-order many-body perturbation theory calculations with nucleon-nucleon and three-nucleon interactions up to fourth order in the $χ$EFT expansion. From these calculations our newly developed Bayesian machine-learning approach extracts the size and smoothness properties of the correlated EFT truncation error. We then propose a novel extension that uses multitask machine learning to reveal correlations between the EOS at different proton fractions. The inferred in-medium $χ$EFT breakdown scale in pure neutron matter and symmetric nuclear matter is consistent with that from free-space nucleon-nucleon scattering. These significant advances allow us to provide posterior distributions for the nuclear saturation point and propagate theoretical uncertainties to derived quantities: the pressure and incompressibility of symmetric nuclear matter, the nuclear symmetry energy, and its derivative. Our results, which are validated by statistical diagnostics, demonstrate that an understanding of truncation-error correlations between different densities and different observables is crucial for reliable UQ. The methods developed here are publicly available as annotated Jupyter notebooks.

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arXiv2021

How well do we know the neutron-matter equation of state at the densities inside neutron stars? A Bayesian approach with correlated uncertainties

We introduce a new framework for quantifying correlated uncertainties of the infinite-matter equation of state derived from chiral effective field theory ($χ$EFT). Bayesian machine learning via Gaussian processes with physics-based hyperparameters allows us to efficiently quantify and propagate theoretical uncertainties of the equation of state, such as $χ$EFT truncation errors, to derived quantities. We apply this framework to state-of-the-art many-body perturbation theory calculations with nucleon-nucleon and three-nucleon interactions up to fourth order in the $χ$EFT expansion. This produces the first statistically robust uncertainty estimates for key quantities of neutron stars. We give results up to twice nuclear saturation density for the energy per particle, pressure, and speed of sound of neutron matter, as well as for the nuclear symmetry energy and its derivative. At nuclear saturation density the predicted symmetry energy and its slope are consistent with experimental constraints.

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arXiv2020

Light nuclei with semilocal momentum-space regularized chiral interactions up to third order

We present a systematic investigation of few-nucleon systems and light nuclei using the current LENPIC interactions comprising semilocal momentum-space regularized two- and three-nucleon forces up to third chiral order (N$^2$LO). Following our earlier study utilizing the coordinate-space regularized interactions, the two low-energy constants entering the three-body force are determined from the triton binding energy and the differential cross section minimum in elastic nucleon-deuteron scattering. Predictions are made for selected observables in elastic nucleon-deuteron scattering and in the deuteron breakup reactions, for properties of the $A=3$ and $A=4$ nuclei, and for spectra of $p$-shell nuclei up to $A = 16$. A comprehensive error analysis is performed including an estimation of correlated truncation uncertainties for nuclear spectra. The obtained predictions are generally found to agree with experimental data within errors. Similar to the coordinate-space regularized chiral interactions at the same order, a systematic overbinding of heavier nuclei is observed, which sets in for $A \sim 10$ and increases with $A$.

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arXiv2020

Ab initio calculations of low-energy nuclear scattering using confining potential traps

A recently modified method to enable low-energy nuclear scattering results to be extracted from the discrete energy levels of the target-projectile clusters confined by harmonic potential traps is tested. We report encouraging results for neutron--$α$ and neutron--$^{24}\mathrm{O}$ elastic scattering from analyzing the trapped levels computed using two different ab initio nuclear structure methods. The $n$--$α$ results have also been checked against a direct ab initio reaction calculation. The $n$--$^{24}\mathrm{O}$ results demonstrate the approach's applicability for a large range of systems provided their spectra in traps can be computed by ab initio methods. A key ingredient is a rigorous understanding of the errors in the calculated energy levels caused by inevitable Hilbert-space truncations in the ab initio methods.

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