arXiv subjects

R. J. Furnstahl

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

At least 55 records · Page 3Linked to original sources

arXiv2020

Operator evolution from the similarity renormalization group and the Magnus expansion

The Magnus expansion is an efficient alternative to solving similarity renormalization group (SRG) flow equations with high-order, memory-intensive ordinary differential equation solvers. The numerical simplifications it offers for operator evolution are particularly valuable for in-medium SRG calculations, though challenges remain for difficult problems involving intruder states. Here we test the Magnus approach in an analogous but more accessible situation, which is the free-space SRG treatment of the spurious bound-states arising from a leading-order chiral effective field theory (EFT) potential with very high cutoffs. We show that the Magnus expansion passes these tests and then use the investigations as a springboard to address various aspects of operator evolution that have renewed relevance in the context of the scale and scheme dependence of nuclear processes. These aspects include SRG operator flow with band- versus block-diagonal generators, universality for chiral EFT Hamiltonians and associated operators with different regularization schemes, and the impact of factorization arising from scale separation. Implications for short-range correlations physics and the possibilities for reconciling high- and low-resolution treatments of nuclear structure and reactions are discussed.

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arXiv2019

Quantifying Correlated Truncation Errors in Effective Field Theory

Effective field theories (EFTs) organize the description of complex systems into an infinite sequence of decreasing importance. Predictions are made with a finite number of terms, which induces a truncation error that is often left unquantified. We formalize the notion of EFT convergence and propose a Bayesian truncation error model for predictions that are correlated across the independent variables, e.g., energy or scattering angle. Central to our approach are Gaussian processes that encode both the naturalness and correlation structure of EFT coefficients. Our use of Gaussian processes permits efficient and accurate assessment of credible intervals, allows EFT fits to easily include correlated theory errors, and provides analytic posteriors for physical EFT-related quantities such as the expansion parameter. We demonstrate that model-checking diagnostics---applied to the case of multiple curves---are powerful tools for EFT validation. As an example, we assess a set of nucleon-nucleon scattering observables in chiral EFT. In an effort to be self contained, appendices include thorough derivations of our statistical results. Our methods are packaged in Python code, called gsum, that is available for download on GitHub.

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arXiv2019

Turning the nuclear energy density functional method into a proper effective field theory: reflections

Nuclear energy density functionals (EDFs) have a long history of success in reproducing properties of nuclei across the table of the nuclides. They capture quantitatively the emergent features of bound nuclei, such as nuclear saturation and pairing, yet greater accuracy and improved uncertainty quantification are actively sought. Implementations of phenomenological EDFs are suggestive of effective field theory (EFT) formulations and there are hints of an underlying power counting. Multiple paths are possible in trying to turn the nuclear EDF method into a proper EFT. I comment on the current situation and speculate on how to proceed using an effective action formulation.

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arXiv2019

Incorporating Brueckner-Hartree-Fock correlations in the Density Matrix Expansion approach

Recently, a microscopically motivated nuclear energy density functional was derived by applying the density matrix expansion to the Hartree-Fock (HF) energy obtained from long-range chiral effective field theory two- and three-nucleon interactions. However, the HF approach cannot account for all many-body correlations. One class of correlations is included by Brueckner-Hartree-Fock (BHF) theory, which gives an improved definition of the one-body HF potential by replacing the interaction by a reaction matrix $G$. In this paper, we find that the difference between the $G$-matrix and the nucleon-nucleon potential $V_{\mathrm{NN}}$ can be well accounted for by a truncated series of contact terms. This is consistent with renormalization group decoupling generating a series of counterterms as short-distance physics is integrated out. The coefficients $C_{n}$ of the power series expansion $\sum C_{n}q^{n}$ for the counterterms are examined for two potentials at different renormalization group resolutions and at a range of densities. The success of this expansion for $G-V_{\mathrm{NN}}$ means we can apply the density matrix expansion at the HF level with low-momentum interactions and density-dependent zero-range interactions to model BHF correlations.

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arXiv2018

Exploring Bayesian parameter estimation for chiral effective field theory using nucleon-nucleon phase shifts

We recently developed a Bayesian framework for parameter estimation in general effective field theories. Here we present selected results from using that framework to estimate parameters with a nucleon-nucleon (NN) potential derived using chiral effective field theory ($χ$EFT): the semi-local NN potential of Epelbaum, Krebs, and Meißner (EKM). There are many NN scattering data, up to high energies, and with rather small errors, so imposing a penalty for unnatural low-energy constants (LECs) usually has a small effect on the fits. In contrast, we have found that including an estimate of higher orders in $χ$EFT plays an important role in robust parameter estimation.We present two case studies where our Bayesian machinery illuminates physics issues. The first involves the EKM potential at fourth order in the $χ$EFT expansion: the two-dimensional posterior probability density function (pdf) for the fourth-order $s$-wave LECs obtained from the Nijmegen PWA93 phase shifts indicates these parameters in the NN potential are degenerate. We trace this feature of the pdf to the presence of an operator in the fourth-order NN potential that vanishes on-shell. The second case study examines the stability of LEC extractions as more data at higher energies are included in the fit. We show that as long as $χ$EFT truncation errors are properly accounted for in the parameter estimation, the LEC values extracted using our Bayesian approach are not sensitive to the maximum energy chosen for the fit.Uncorrelated and fully correlated models for the truncation errors are compared, pointing the way to the use of Gaussian processes to more generally model the correlation structure.

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arXiv2018

Few- and many-nucleon systems with semilocal coordinate-space regularized chiral nucleon-nucleon forces

We employ a variety of ab initio methods including Faddeev-Yakubovsky equations, No-Core Configuration Interaction Approach, Coupled-Cluster Theory and In-Medium Similarity Renormalization Group to perform a comprehensive analysis of the nucleon-deuteron elastic and breakup reactions and selected properties of light and medium-mass nuclei up to 48Ca using the recently constructed semilocal coordinate-space regularized chiral nucleon-nucleon potentials. We compare the results with those based on selected phenomenological and chiral EFT two-nucleon potentials, discuss the convergence pattern of the chiral expansion and estimate the achievable theoretical accuracy at various chiral orders using the novel approach to quantify truncation errors of the chiral expansion without relying on cutoff variation. We also address the robustness of this method and explore alternative ways to estimate the theoretical uncertainty from the truncation of the chiral expansion.

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arXiv2018

Microscopically-based energy density functionals for nuclei using the density matrix expansion: Full optimization and validation

We seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral effective field theory. We propose a parametrization of this functional carefully calibrated and validated on selected ground-state properties that is suitable for large-scale calculations of nuclear properties. The first component of this functional is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. A second component is a local functional of the density and is obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply the UNEDF2 optimization protocol to determine the coupling constants of this energy functional. We obtain a set of microscopically-constrained functionals for local chiral potentials from leading-order up to next-to-next-to-leading order with and without three-body forces and contributions from $Δ$ excitations. These functionals are validated on the calculation of nuclear and neutron matter, nuclear mass tables, single-particle shell structure in closed-shell nuclei and the fission barrier of $^{240}$Pu. Quantitatively, they perform noticeable better than the more phenomenological Skyrme functionals. The inclusion of higher-order terms in the chiral perturbation expansion seems to produce a systematic improvement in predicting nuclear binding energies. This result is especially promising since all the fits have been performed at the single reference level of the energy density functional approach, where important collective correlations such as center-of-mass correction have not been taken into account yet.

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arXiv2017

Weinberg eigenvalues for chiral nucleon-nucleon interactions

We perform a comprehensive Weinberg eigenvalue analysis of a representative set of modern nucleon-nucleon interactions derived within chiral effective field theory. Our set contains local, semilocal, and nonlocal potentials, developed by Gezerlis, Tews et al. (2013); Epelbaum, Krebs, and Meißner (2015); and Entem, Machleidt, and Nosyk (2017) as well as Carlsson, Ekström et al. (2016), respectively. The attractive eigenvalues show a very similar behavior for all investigated interactions, whereas the magnitudes of the repulsive eigenvalues sensitively depend on the details of the regularization scheme of the short- and long-range parts of the interactions. We demonstrate that a direct comparison of numerical cutoff values of different interactions is in general misleading due to the different analytic form of regulators; for example, a cutoff value of $R=0.8$ fm for the semilocal interactions corresponds to about $R=1.2$ fm for the local interactions. Our detailed comparison of Weinberg eigenvalues provides various insights into idiosyncrasies of chiral potentials for different orders and partial waves. This shows that Weinberg eigenvalues could be used as a helpful monitoring scheme when constructing new interactions.

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arXiv2017

Bayesian truncation errors in chiral effective field theory: nucleon-nucleon observables

Chiral effective field theory (EFT) predictions are necessarily truncated at some order in the EFT expansion, which induces an error that must be quantified for robust statistical comparisons to experiment. In previous work, a Bayesian model for truncation errors of perturbative expansions was adapted to EFTs. The model yields posterior probability distribution functions (pdfs) for these errors based on expectations of naturalness encoded in Bayesian priors and the observed order-by-order convergence pattern of the EFT. A first application was made to chiral EFT for neutron-proton scattering using the semi-local potentials of Epelbaum, Krebs, and Meißner (EKM). Here we extend this application to consider a larger set of regulator parameters, energies, and observables as a general example of a statistical approach to truncation errors. The Bayesian approach allows for statistical validations of the assumptions and enables the calculation of posterior pdfs for the EFT breakdown scale. The statistical model is validated for EKM potentials whose convergence behavior is not distorted by regulator artifacts. For these cases, the posterior for the breakdown scale is consistent with EKM assumptions.

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arXiv2017

Estimates and power counting in uniform matter with softened interactions

Modern softened nucleon-nucleon interactions are well-suited for perturbative many-body calculations, but a many-body power counting scheme is lacking. Estimates of diagrammatic contributions at finite density are important ingredients in such a scheme. Here we show how to make quantitative estimates of the particle-particle and hole-hole channel in uniform nuclear matter for soft interactions. We also use estimates to assess the role of normal-ordered three-body forces for a pure contact interaction.

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arXiv2017

Applying the Density Matrix Expansion with Coordinate-Space Chiral Interactions

We apply the density matrix expansion (DME) at Hartree-Fock level with long-range chiral effective field theory interactions defined in coordinate space up to next-to-next-to-leading order. We consider chiral potentials both with and without explicit Delta isobars. The challenging algebra associated with applying the DME to three-nucleon forces is tamed using a new organization scheme, which will also facilitate generalizations. We include local regulators on the interactions to mitigate the effects of singular potentials on the DME couplings and simplify the optimization of generalized Skyrme-like functionals.

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arXiv2016

Bayesian parameter estimation for effective field theories

We present procedures based on Bayesian statistics for estimating, from data, the parameters of effective field theories (EFTs). The extraction of low-energy constants (LECs) is guided by theoretical expectations in a quantifiable way through the specification of Bayesian priors. A prior for natural-sized LECs reduces the possibility of overfitting, and leads to a consistent accounting of different sources of uncertainty. A set of diagnostic tools are developed that analyze the fit and ensure that the priors do not bias the EFT parameter estimation. The procedures are illustrated using representative model problems, including the extraction of LECs for the nucleon mass expansion in SU(2) chiral perturbation theory from synthetic lattice data.

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arXiv2016

Regulator Artifacts in Uniform Matter for Chiral Interactions

Regulator functions applied to two- and three-nucleon forces are a necessary ingredient in many-body calculations based on chiral effective field theory interactions. These interactions have been developed recently with a variety of different cutoff forms, including regulating both the momentum transfer (local) and the relative momentum (nonlocal). While in principle any regulator that suppresses high momentum modes can be employed, in practice artifacts are inevitable in current power counting schemes. Artifacts from particular regulators may cause significant distortions of the physics or may affect many-body convergence rates, so understanding their nature is important. Here we characterize the differences between cutoff effects using uniform matter at Hartree-Fock and second-order in the interaction as a testbed. This provides a clean laboratory to isolate phase-space effects of various regulators on both two- and three-nucleon interactions. We test the normal-ordering approximation for three-nucleon forces in nuclear matter and find that the relative size of the residual 3N contributions is sensitive to the employed regularization scheme.

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arXiv2015

Deuteron electrodisintegration with unitarily evolved potentials

Renormalization group (RG) methods used to soften Hamiltonians for nuclear many-body calculations change the effective resolution of the interaction. For nucleon knock-out processes, these RG transformations leave cross sections invariant, but initial-state wave functions, interaction currents, and final-state interactions are individually altered. This has implications for the factorization of nuclear structure and reactions. We use deuteron electrodisintegration as a controlled laboratory for studying how structure and reaction components are modified under RG evolution, without the complication of three-body forces or currents. The dependence of these changes on kinematics is explored.

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arXiv2015

Quantifying truncation errors in effective field theory

Bayesian procedures designed to quantify truncation errors in perturbative calculations of quantum chromodynamics observables are adapted to expansions in effective field theory (EFT). In the Bayesian approach, such truncation errors are derived from degree-of-belief (DOB) intervals for EFT predictions. Computation of these intervals requires specification of prior probability distributions ("priors") for the expansion coefficients. By encoding expectations about the naturalness of these coefficients, this framework provides a statistical interpretation of the standard EFT procedure where truncation errors are estimated using the order-by-order convergence of the expansion. It also permits exploration of the ways in which such error bars are, and are not, sensitive to assumptions about EFT-coefficient naturalness. We first demonstrate the calculation of Bayesian probability distributions for the EFT truncation error in some representative examples, and then focus on the application of chiral EFT to neutron-proton scattering. Epelbaum, Krebs, and Meißner recently articulated explicit rules for estimating truncation errors in such EFT calculations of few-nucleon-system properties. We find that their basic procedure emerges generically from one class of naturalness priors considered, and that all such priors result in consistent quantitative predictions for 68% DOB intervals. We then explore several methods by which the convergence properties of the EFT for a set of observables may be used to check the statistical consistency of the EFT expansion parameter.

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arXiv2015

Few-nucleon systems with state-of-the-art chiral nucleon-nucleon forces

We apply improved nucleon-nucleon potentials up to fifth order in chiral effective field theory, along with a new analysis of the theoretical truncation errors, to study nucleon-deuteron (Nd) scattering and selected low-energy observables in 3H, 4He, and 6Li. Calculations beyond second order differ from experiment well outside the range of quantified uncertainties, providing truly unambiguous evidence for missing three-nucleon forces within the employed framework. The sizes of the required three-nucleon force contributions agree well with expectations based on Weinberg's power counting. We identify the energy range in elastic Nd scattering best suited to study three-nucleon force effects and estimate the achievable accuracy of theoretical predictions for various observables.

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arXiv2014

Ultraviolet extrapolations in finite oscillator bases

The use of finite harmonic oscillator spaces in many-body calculations introduces both infrared (IR) and ultraviolet (UV) errors. The IR effects are well approximated by imposing a hard-wall boundary condition at a properly identified radius L_eff. We show that duality of the oscillator implies that the UV effects are equally well described by imposing a sharp momentum cutoff at a momentum Lambda_eff complementary to L_eff. By considering two-body systems with separable potentials, we show that the UV energy corrections depend on details of the potential, in contrast to the IR energy corrections, which depend only on the S-matrix. An adaptation of the separable treatment to more general interactions is developed and applied to model potentials as well as to the deuteron with realistic potentials. The previous success with a simple phenomenological form for the UV error is also explained. Possibilities for controlled extrapolations for A > 2 based on scaling arguments are discussed.

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arXiv2014

A recipe for EFT uncertainty quantification in nuclear physics

The application of effective field theory (EFT) methods to nuclear systems provides the opportunity to rigorously estimate the uncertainties originating in the nuclear Hamiltonian. Yet this is just one source of uncertainty in the observables predicted by calculations based on nuclear EFTs. We discuss the goals of uncertainty quantification in such calculations and outline a recipe to obtain statistically meaningful error bars for their predictions. We argue that the different sources of theory error can be accounted for within a Bayesian framework, as we illustrate using a toy model.

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