A comprehensive assessment of theoretical uncertainties defines an important frontier in nuclear structure research. Ideally, theory predictions include uncertainty estimates that take into account truncation effects from both the interactions and the many-body expansion. While the uncertainties from the expansion of the interactions within effective field theories have been studied systematically using Bayesian methods, many-body truncations are usually addressed by expert assessment. In this work we use a Bayesian framework to study many-body uncertainties within many-body perturbation theory applied to finite nuclei. Our framework is applied to a broad range of nuclei across the nuclear chart calculated from two- and three-nucleon interactions based on chiral effective field theory. These developments represent a step towards a more complete and systematic quantification of uncertainties in ab initio calculations of nuclei.
NICER has enabled mass-radius inferences for pulsars using pulse profile modeling (PPM), providing constraints on the equation of state (EOS) of cold, dense matter. To date, PPM and EOS inference have been carried out as two separate steps, with the former using EOS-agnostic priors. This approach has several drawbacks. Ideally, one would perform a fully hierarchical Bayesian inference where the pulse profile and EOS model parameters are jointly fit, but implementing such a framework is complex and computationally demanding. Here, we present an intermediate solution introducing an EOS-informed prior on mass radius into the existing PPM pipeline using normalizing flows. By focusing on the parameter space consistent with certain EOSs, this approach both tightens constraints on neutron star parameters while reducing computational costs and requiring minimal additional implementation effort. We test this approach on two pulsars, PSR J0740 & thorn; 6620 and PSR J0437-4715, and with two EOS model families: a model based on the speed of sound inside the neutron star interior (CS) and a piecewise-polytropic (PP) model. Both EOS models implement constraints from chiral effective field theory calculations of dense matter. For both pulsar datasets, the inferred radius credible intervals are narrower than in the EOS-agnostic case, with CS favoring smaller radii and PP favoring larger radii. For PSR J0437-4715, the EOS-informed priors reveal a new, more extreme geometric mode that is statistically favored but physically questionable. Including the PPM posteriors in the subsequent EOS inference further tightens the mass-radius posteriors through the chiral effective field theory constraints. However, there is also a sensitivity to the high-density extensions, where the PP (CS) model produces a shift toward larger (smaller) radii and corresponding stiffening (softening) of the pressure-energy density relation.
Recently, new quark mass dependent three-nucleon (3N) forces have been identified, whose contributions in nuclear matter exceed expectations of Weinberg power-counting arguments. In this work, we investigate the impact of the most dominant new interaction term, characterized by the coupling F2, in ab initio calculations of medium-mass nuclei. For this, we combine the new F2 interaction with established 3N interactions up to next-to-next-to-leading order (N2LO) and next-to-next-to-next-to-leading order (N3LO) in chiral effective field theory. We explore two fit strategies for the low-energy couplings. The first is based only on few-body observables, while the second also incorporates information from 16O. Generally, we find that the F2 interaction has a significant impact on energies and radii, however mainly due to changes in the short-range couplings. Overall, we find no significant systematic improvements in the reproduction of medium-mass nuclei when the additional F2 interaction is included.
We report on the first quantum Monte Carlo calculations of helium isotopes with fully propagated theoretical uncertainties from the interaction to the many-body observables. To achieve this, we build emulators for solutions to the Faddeev equations for the binding energy and Gamow-Teller matrix element of ^3H, as well as for auxiliary-field diffusion Monte Carlo calculations of the ^4He charge radius, employing local two- and three-body interactions up to next-to-next-to-leading order in chiral effective field theory. We use these emulators to determine the posterior distributions for all low-energy couplings that appear in the interaction up to this order using Bayesian inference while accounting for theoretical uncertainties. We then build emulators for auxiliary-field diffusion Monte Carlo for helium isotopes and propagate the full posterior distributions to these systems. Our approach serves as a framework for ab initio studies of atomic nuclei with consistently treated and correlated theoretical uncertainties.
We study the impact of new mass-radius information from PSR J1614-2230, PSR J2124-3358, and 47 Tuc X7 in a combined equation of state inference based on chiral effective field theory constraints at nuclear densities and using different high-density extensions, including perturbative QCD constraints. The largest impact stems from the heavy-mass PSR J1614-2230 star, which shifts heavy neutron stars to smaller radii by around 0.4 km. Moreover, the combined astrophysical NICER, LIGO/Virgo, and X-ray information drives the radius posterior to a more data-driven distribution, which is less sensitive to the high-density extension. For the equation of state, the new mass-radius information significantly tightens the pressure and speed-of-sound posterior distributions, especially around three times saturation density. Finally, we make predictions for the poorly constrained masses of PSR J2124-3358 and 47 Tuc X7 based on the combined equation of state analysis and the other astrophysical sources.
We investigate Bayesian chiral effective field theory ($χ$EFT) uncertainties, which assign a statistical interpretation to equation of state (EOS) distributions near nuclear saturation density, n$_0$, as well as constraints from perturbative quantum chromodynamics (pQCD) to Bayesian EOS inference from LIGO/Virgo, NICER and pulsar mass observations. The tails of the $χ$EFT uncertainties allow for broader pressure ranges in our priors, but large parts of these are excluded by the astrophysical observations, so that the EOS and the resulting mass-radius posteriors are still very consistent with our earlier work. Within our broad prior ranges, we observe a clear stiffening of the EOS at $n \gtrsim 3 n_0$. Moreover, the impact of the pQCD constraints on the posterior EOS and mass-radius range is negligible due to the astrophysics constraints. Exploiting the strong correlation between pure neutron matter and matter in beta equilibrium, we infer the symmetry energy slope parameter $L$ from astrophysics. For the $68\%$ credible interval, we obtain $L=42.6-52$ MeV and $L=44.2-56.7$ MeV using piecewise-polytrope and speed-of-sound high-density extensions, respectively. The $L$ posterior is mainly driven by the combination of GW170817 LIGO/Virgo and PSR J0740+6620, PSR J0437-4715, and PSR J0614-3329 NICER observations.
Neutron-rich nuclei provide important insights to nuclear forces and to the nuclear equation of state. Advances in ab initio methods combined with new opportunities with rare isotope beams enable unique explorations of their properties based on nuclear forces applicable over the entire nuclear chart. In this paper, we develop novel chiral low-resolution interactions that accurately describe bulk properties from ^16 O to ^208 Pb. With these, we investigate density distributions and neutron skins of neutron-rich nuclei. Our results show that neutron skins are narrowly predicted over all nuclei with interesting sensitivities for the most extreme, experimentally unexplored cases.
We present results for the equation of state of symmetric nuclear matter and pure neutron matter obtained in many-body-perturbation theory (MBPT) up to third order, based on various chiral two- and three-nucleon interactions used in ab initio calculations of nuclei. We extract equation of state properties, such as the incompressibility and the symmetry energy, and discuss estimates of the theoretical uncertainties due to neglected higher-order contributions in the MBPT expansion as well as the chiral effective field theory expansion. In addition, we discuss the Fermi liquid approach to nuclear matter. We calculate all two- and three-nucleon contributions to the quasiparticle interaction up to second order in MBPT and present results for the Landau parameters, effective mass, and speed of sound for pure neutron matter.
Understanding the emergence of complex structures of nuclei from chiral effective field theory (EFT) is a central challenge. The large number of low-energy couplings (LECs) in the EFT expansion and the significant cost of ab initio many-body calculations render large-scale sensitivity studies of many-body observables computationally prohibitive, necessitating the use of emulators as low-cost surrogates. In this work, we study a Hartree-Fock emulator based on eigenvector continuation to investigate trends in nuclear charge radii of neutron-rich calcium isotopes. We systematically vary the five LECs entering the leading three-nucleon (3N) interactions, and demonstrate the precision of the emulator through cross-validation over a wide parameter space. Our findings indicate that large charge radius increase from ^48Ca to ^52Ca is likely not explained by variations of the leading 3N couplings. This suggests that other effects, such as sensitivities to chiral two-nucleon interactions or neglected many-body effects, e.g., associated with nuclear collectivity, play an important role.
Neutron matter is an important many-body system that provides valuable constraints for the equation of state (EOS) of neutron stars. Neutron-matter calculations employing chiral effective field theory (EFT) interactions have been extensively used for this purpose. Among the various many-body methods, quantum Monte Carlo (QMC) methods stand out due to their nonperturbative nature and the achievable precision. However, QMC methods require local interactions as input, which leads to the appearance of stronger regulator artifacts compared to nonlocal interactions. To circumvent this, we employ large-cutoff interactions derived within chiral EFT (400MeV≤Λ_{c}≤700MeV) for studies of pure neutron matter. These interactions have been adjusted to nucleon-nucleon scattering phase shifts, the triton binding energy, as well as the triton β-decay half-life. We find that regulator artifacts significantly decrease with increasing cutoff, leading to a significant reduction of uncertainties in the neutron-matter EOS. We discuss implications for the symmetry energy and demonstrate how our new calculations lead to a reduction in the theoretical uncertainty of predicted neutron-star radii by up to 30% for low-mass stars.
The in-medium similarity renormalization group (IMSRG) is a powerful and flexible many-body method to compute the structure of nuclei starting from nuclear forces. Recent developments have extended the IMSRG from its standard truncation at the normal-ordered two-body level, the IMSRG(2), to a precision approximation including normal-ordered three-body operators, the IMSRG(3)-N^7. This improvement provides a more precise solution to the many-body problem and makes it possible to quantify many-body uncertainties in IMSRG calculations. We explore the structure of ^44,48,52Ca using the IMSRG(3)-N^7, focusing on understanding existing discrepancies of the IMSRG(2) to experimental results. We find a significantly better description of the first 2^+ excitation energy of ^48Ca, improving the description of the shell closure at N=28. At the same time, we find that the IMSRG(3)-N^7 corrections to charge radii do not resolve the systematic underprediction of the puzzling large charge radius difference between ^52Ca and ^48Ca. We present estimates of many-body uncertainties of IMSRG(2) calculations applicable also to other systems based on the size extensivity of the method.
First-principles simulations of many-fermion systems are commonly limited by the computational requirements of processing large data objects. As a remedy, we propose the use of low-rank approximations of three-body interactions, which are the dominant such limitation in nuclear physics. We introduce a randomized decomposition technique to handle the excessively large matrix dimensions and study the sensitivity of low-rank properties to interaction details. The developed low-rank three-nucleon interactions are benchmarked in ab initio simulations of few- and many-body systems. Exploiting low-rank properties provides a promising route to extend the microscopic description of atomic nuclei to large systems where storage requirements exceed the computational capacities of the most advanced high-performance computing facilities.
The development of emulators for the evaluation of many-body observables has gained increasing attention over the last years. In particular the framework of eigenvector continuation (EC) has been identified as a powerful tool when the Hamiltonian admits for a parametric dependence. By training the emulator on a set of training data the many-body solution for arbitrary parameter values can be robustly predicted in many cases. Furthermore, it can be used to resum perturbative expansions that otherwise diverge. In this work, we apply EC to the pairing Hamiltonian and show that EC-resummed perturbation theory is in qualitative agreement with the exact solution and that EC-based emulators robustly predict the ground-state energy once the training data are chosen appropriately. In particular the phase transition from the normal to the superfluid regime is quantitatively predicted using a very low number of training points.
We investigate the effects of two-body currents on magnetic dipole moments of medium-mass and heavy nuclei using the valence-space in-medium similarity renormalization group with chiral effective field theory interactions and currents. Focusing on near doubly magic nuclei from oxygen to bismuth, we have found that the leading two-body currents globally improve the agreement with experimental magnetic moments. Moreover, our results show the importance of multi-shell effects for $^{41}$Ca, which suggest that the $Z=N=20$ gap in $^{40}$Ca is not as robust as in $^{48}$Ca. The increasing contribution of two-body currents in heavier systems is explained by the operator structure of the center-of-mass dependent Sachs term.
Neutron stars contain neutron-rich matter with around 5% protons at nuclear saturation density. In this Letter, we consider equilibrium between bulk phases of matter based on asymmetric nuclear matter calculations using chiral effective field theory interactions rather than, as has been done in the past, by interpolation between the properties of symmetric nuclear matter and pure neutron matter. Neutron drip (coexistence of nuclear matter with pure neutrons) is well established, but from earlier work it is unclear whether proton drip (equilibrium between two phases, both of which contain protons and neutrons) is possible. We find that proton drip is a robust prediction of any physically reasonable equation of state, but that it occurs over a limited region of densities and proton fractions. An analytical model based on expanding the energy in powers of the proton density, rather than the neutron excess, is able to account for these features of the phase diagram.
Pulse profile modeling of X-ray data from the Neutron Star Interior Composition Explorer is now enabling precision inference of neutron star mass and radius. Combined with nuclear physics constraints from chiral effective field theory (chi EFT), and masses and tidal deformabilities inferred from gravitational-wave detections of binary neutron star mergers, this has led to a steady improvement in our understanding of the dense matter equation of state (EOS). Here, we consider the impact of several new results: the radius measurement for the 1.42 M circle dot pulsar PSR J0437-4715 presented by Choudhury et al., updates to the masses and radii of PSR J0740+6620 and PSR J0030+0451, and new chi EFT results for neutron star matter up to 1.5 times nuclear saturation density. Using two different high-density EOS extensions-a piecewise-polytropic (PP) model and a model based on the speed of sound in a neutron star (CS)-we find the radius of a 1.4 M circle dot (2.0 M circle dot) neutron star to be constrained to the 95% credible ranges 12.28-0.76+0.50 km ( 12.33-1.34+0.70 km) for the PP model and 12.01-0.75+0.56 km ( 11.55-1.09+0.94 km) for the CS model. The maximum neutron star mass is predicted to be 2.15-0.16+0.14 M circle dot and 2.08-0.16+0.28 M circle dot for the PP and CS models, respectively. We explore the sensitivity of our results to different orders and different densities up to which chi EFT is used, and show how the astrophysical observations provide constraints for the pressure at intermediate densities. Moreover, we investigate the difference R 2.0 - R 1.4 of the radius of 2 M circle dot and 1.4 M circle dot neutron stars within our EOS inference.
Many-body approaches for atomic nuclei generally rely on a basis expansion of the nuclear states, interactions, and current operators. In this work, we derive the representation of the magnetic dipole operator in plane-wave and harmonic-oscillator basis states, as needed for Faddeev calculations of few-body systems or many-body calculations within, e.g., the no-core shell model, the in-medium renormalization group, coupled-cluster theory, or the nuclear shell model. We focus in particular on the next-to-leading-order two-body contributions derived from chiral effective field theory. We provide detailed benchmarks and also comparisons with quantum Monte Carlo results for three-body systems. The derived operator matrix elements represent the basic input for studying magnetic properties of atomic nuclei based on chiral effective field theory.
We calculate the equation of state of asymmetric nuclear matter at finite temperature based on chiral effective field theory interactions to next-to-next-to-next-to-leading order. Our results assess the theoretical uncertainties from the many-body calculation and the chiral expansion. Using a Gaussian process emulator for the free energy, we derive the thermodynamic properties of matter through consistent derivatives and use the Gaussian process to access arbitrary proton fraction and temperature. This enables a first nonparametric calculation of the equation of state in beta equilibrium, and of the speed of sound and the symmetry energy at finite temperature. Moreover, our results show that the thermal part of the pressure decreases with increasing densities.
Three-nucleon (3N) interactions are key for an accurate solution of the nuclear many-body problem. However, fully taking into account 3N forces constitutes a computational challenge and hence approximate treatments are commonly employed. The method of normal ordering has proven to be a powerful tool that allows to systematically include 3N interactions in an efficient way, but traditional normal-ordering frameworks require the representation of 3N interactions in a large single-particle basis, typically necessitating a truncation of 3N matrix elements. While this truncation has only a minor impact for light and medium-mass nuclei, its effects become sizable for heavier systems and hence limit the scope of ab initio calculations. In this work, we present a novel normal-ordering framework that allows to circumvent this limitation by performing the normal ordering directly in a Jacobi basis. We discuss in detail the new framework, benchmark it against established results, and present calculations for ground-state energies and charge radii of heavy nuclei, such as 132Sn and 208Pb.
We study current bounds on strong first-order phase transitions (PTs) along the equation of state (EOS) of dense strongly interacting matter in neutron stars, under the simplifying assumption that on either side of the PT, the EOS can be approximated by a simple polytropic form. We construct a large ensemble of possible EOSs of this form, anchor them to chiral effective field theory calculations at nuclear density and perturbative Quantum Chromodynamics at high densities, and subject them to astrophysical constraints from high-mass pulsars and gravitational-wave observations. Within this setup, we find that a PT permits neutron-star solutions with larger radii, but only if the transition begins below twice nuclear saturation density. We also identify a large parameter space of allowed PTs currently unexplored by numerical-relativity studies. Additionally, we locate a small region of parameter space allowing twin-star solutions, though we find them to only marginally pass the current astrophysical constraints. Finally, we find that sizeable cores of high-density matter beyond the PT may be located in the centers of some stable neutron stars, primarily those with larger masses.