We investigate the contribution of radial excitations to Fermi beta-decay matrix element. To this end, exact no-core shell-model calculations are performed for the mirror beta decay of tritium, where full convergence can be achieved on an ordinary computer. The differences between the isospin-mixing correction values obtained in the full and in a restricted model spaces are matched to the radial overlap correction term, analogous to that required in the shell-model approach, where the configuration space is extremely limited. We examine this complementary correction term using a nonorthogonal harmonic-oscillator basis, generated by slightly differentiating the oscillator frequencies between the initial and final nuclei, while all desirable properties, including translational invariance, are still preserved. For Nmax 8, we find that the radial excitation contribution is negative, with a typical magnitude of approximately 10% to 20% of the radial diagonal contribution. This effect becomes more pronounced as the model space increases. Therefore, the delta C2 values obtained in the shell-model approach, where radial excitations are not explicitly included, are likely overestimated. Based on experimental ft data and the corrective terms adopted in the survey by Hardy and Towner [Phys. Rev. C 102, 045501 (2020)], we show that the incorporation of radial excitations for the superallowed 0+ -> 0+ nuclear beta decay tends, however, to worsen agreement with the standard model.

Sum rules are important bulk properties of transition strength functions for atomic nuclei. Unlike the Ikeda sum rule for single Gamow-Teller transition, double Gamow-Teller transition sum rules rely on the details of many-body wavefunctions. We approximate the shell model ground state with nucleon-pair condensates, by projection after variation, and compute double Gamow-Teller (DGT) transition sum rules from both β+ and β- directions. By systematic investigation of DGT sum rules of even-even nuclei in the 1s0d, 1p0f major shells, we quantitatively estimate the model-dependent fractions in the sum rules, and analyze the importance of double isospin-analogue state in the DGT strength function.

We report on a recently proposed approach, inspired by quantum informationtheory, for calculating low-energy nuclear structure in the framework of the configuration-interaction shell-model. Empirical evidence has demonstrated that the many-proton and many-neutron partitions of nuclear configuration-interaction wave functions are weakly entangled, especially away from N=Z. This has been developed into a practical methodology, the Proton And Neutron Approximate Shell-model (PANASh). We review the basic ideas and present recent results. We also discuss some technical developments in calculations.

Background: Understanding the experimental B(E2) values for Sn isotopes around ^110Sn has been a significant challenge in nuclear structure studies for over a decade. Both experimental data and many, though not all, calculations suggest a picture of the light Sn isotopes as being quadrupole-soft, that is, spherical, yet easy to deform. Purpose: To investigate the delicate interplay of quadrupole deformation and pairing correlations in these nuclides. In particular, by using slightly enhanced pairing, we ask: can we generate spherical mean-field solutions that describe the data? Method: First, we apply the standard spherical Skyrme HFBCS-QRPA calculation with default pairing parameters, allowing us to identify nuclides that are unstable against quadrupole deformation among Sn isotopes. Next, we moderately enhance the pairing strength to reproduce the experimental binding energy in the deformation-unstable isotopes. Result: Within our choice of Skyrme parameters and use of density-independent pairing, this moderate adjustment sufficiently stabilizes the HFBCS ground states against deformation, ensuring a successful QRPA calculation and, more importantly, leading to more realistic properties for the quadrupole 2^+ states. Conclusion: Careful attention to the sensitive interplay of pairing and shell effects in deformation-soft nuclides can be crucial to their correct descriptions. This sensitivity can be exploited to optimize the treatment of pairing in phenomenological approaches such as the present Skyrme-QRPA.

Proton-neutron pairing and like-nucleon pairing are two different facets of atomic nuclear configurations. While like-nucleon pair condensates manifest their superfluidic nature in semimagic nuclei, it is not absolutely clear if there exists a T = 0 proton-neutron pair condensate phase in N = Z nuclei. With an explicit formalism of general pair condensate with good particle numbers, we optimize proton-neutron pair condensates for all N = Z nuclei between 16O and 100Sn, given shell model effective interactions. As comparison, we also optimize like-nucleon pair condensates for their semimagic isotones. Shannon entanglement entropy is a measurement of mixing among pair configurations, and can signal intrinsic phase transition. It turns out the like-nucleon pair condensates for semimagic nuclei have large entropies signaling an entangled phase, but the proton-neutron pair condensates end up not far from a Hartree-Fock solution with small entropy. With artificial pairing interaction strengths, we show that the general proton-neutron pair condensate can transit from an entangled T = 1 phase to an entangled T = 0 phase, i.e., pairing phase transition driven by external parameters. In the T = 0 limit, the proton-neutron pair condensate optimized for 24Mg turns out to be a purely T = 0 P-pair condensate with large entanglement entropy, although such cases may occur in cold atom systems, unlikely in atomic nuclei.

The nuclear shell model is a useful and widely used tool for nuclear structure, but it can be hampered by the exponential growth of the basis. Draw­ing inspiration from quantum information theory, one can show that the proton and neutron components are typically weakly entangled. This has led to the Pro­ton And Neutron Approximate Shell-model (PANASh). I review the underlying ideas and present recent developments. In particular I show how PANASh can accelerate beyond-mean-field methods such as the generator coordinate method.

Using tellurium dioxide as a target, we calculate uncertainties on 90% upper confidence limits of Galilean effective field theory (Galilean EFT) couplings to a weakly-interacting massive particle (WIMP) dark matter candidate due to uncertainties in nuclear shell models. We find that these uncertainties in naturally-occurring tellurium isotopes are comparable across the different Galilean EFT couplings to uncertainties in xenon, with some reaching over 100%. We also consider the effect these nuclear uncertainties have on estimates of the annual modulation of dark matter from these searches, finding that the uncertainties in the modulation amplitude are proportional to the non-modulating upper confidence limit uncertainties. We also show that the determination of the modulation phase is insensitive to changes in the nuclear model for a given isotope.

We investigate nuclear shape coexistence for a wide range of even-even nuclides. By varying general pair condensates, which include Slater determinants as a limit but also allow for arbitrary pairing channels, we frequently find multiple coexisting minima and often more than two. This is consistent with recent experimental results. In order to measure general pairwise correlations beyond a simple Slater determinant, we introduce a novel entropy-like measure, which is smallest midshell and largest near shell closures; this is consistent with a picture of pairing-like behavior dominating near closed shells and deformation midshell. After surveying nuclides spanning from the sd shell to nuclides between magic numbers 50 and 82, we focus on the six lightest nuclei with shape coexistence. Angular-momentum projected variational pair condensate (PVPC) calculations identify band structures, including two newly proposed coexisting bands in 26Si/Mg and 24Si/Ne. The PVPC results agree well with data, providing robust experimental support for the pervasiveness of coexistence in these light nuclei.

The interacting shell model, a configuration-interaction method, is a venerable approach for low-lying nuclear structure calculations, but it is hampered by the exponential growth of its basis dimension as one increases the single-particle space and/or the number of active particles. Recent, quantum-information-inspired work has demonstrated that the proton and neutron sectors of a nuclear wave function are weakly entangled. Furthermore, the entanglement is smaller for nuclides away from N = Z, such as heavy, neutron-rich nuclides. Here we implement a weak entanglement approximation to bipartite configuration-interaction wave functions, approximating low-lying levels by coupling a relatively small number of many-proton and many-neutron states. This truncation scheme, which we present in the context of past approaches, reduces the basis dimension by many orders of magnitude while preserving essential features of nuclear spectra.

Reaction measurements on fission products are being planned at both Argonne National Lab and at the Facility for Rare Isotope Beams. These indirect experiments produce specific short-lived nuclei via beta decay, and the subsequent neutron and gamma emission are studied. Some initial experiments found a surprising overabundance of gamma emission, which theory has yet to explain. To remedy this, we are developing an integrated nuclear data workflow that connects advanced nuclear shell model codes for describing the beta decay with a contemporary nuclear reaction model code.

The Lanczos algorithm has proven itself to be a valuable matrix eigensolver for problems with large dimensions, up to hundreds of millions or even tens of billions. The computational cost of using any Lanczos algorithm is dominated by the number of sparse matrix-vector multiplications until suitable convergence is reached. Block Lanczos replaces sparse matrix-vector multiplication with sparse matrix-matrix multiplication, which is more efficient, but for a randomly chosen starting block (or pivot), more multiplications are required to reach convergence. We find that a bootstrapped pivot block, that is, an initial block constructed from approximate eigenvectors computed in a truncated space, leads to a dramatically reduced number of multiplications, significantly outperforming both standard vector Lanczos and block Lanczos with a random pivot. A key condition for speed-up is that the pivot block have a non-trivial overlap with the final converged vectors. We implement this approach in a configuration-interaction code for nuclear structure, and find a reduction in time-to-solution by a factor of two or more, up to a factor of ten.

We provide new insights into backbending phenomenon within the symmetry-adapted framework which naturally describes the intrinsic deformation of atomic nuclei. For $^{20}\text{Ne}$, the canonical example of backbending in light nuclei, the ab initio symmetry-adapted no-core shell model shows that while the energy spectrum replicates the backbending from experimental energies under the rigid rotor assumption, there is no change in the intrinsic deformation or intrinsic spin of the yrast band around the backbend. For the traditional example of $^{48}\text{Cr}$, computed in the valence shell with empirical interactions, we confirm a high-spin nucleus that is effectively spherical, in agreement with previous models. However, we find that this spherical distribution results, on average, from an almost equal mixing of deformed prolate shapes with deformed oblate and triaxial shapes. Microscopic calculations confirm the importance of spin alignment and configuration mixing, but surprisingly unveil no anomalous increase in moment of inertia. This finding opens the path toward further understanding the rotational behavior and moment of inertia of medium-mass nuclei.

In preparation for the 2023 NSAC Long Range Plan (LRP), members of the Nuclear Science community gathered to discuss the current state of, and plans for further leveraging opportunities in, QIST in NP research at the Quantum Information Science for U.S. Nuclear Physics Long Range Planning workshop, held in Santa Fe, New Mexico on January 31 - February 1, 2023. The workshop included 45 in-person participants and 53 remote attendees. The outcome of the workshop identified strategic plans and requirements for the next 5-10 years to advance quantum sensing and quantum simulations within NP, and to develop a diverse quantum-ready workforce. The plans include resolutions endorsed by the participants to address the compelling scientific opportunities at the intersections of NP and QIST. These endorsements are aligned with similar affirmations by the LRP Computational Nuclear Physics and AI/ML Workshop, the Nuclear Structure, Reactions, and Astrophysics LRP Town Hall, and the Fundamental Symmetries, Neutrons, and Neutrinos LRP Town Hall communities.

We compute the proton-neutron entanglement entropy in the interacting nuclear shell model for a variety of nuclides and interactions. Some results make intuitive sense, for example that the shell structure, as governed by single-particle and monopole energies, strongly affects the energetically available space and thus the entanglement entropy. We also find a surprising result: that the entanglement entropy at low excitation energy tends to decrease for nuclides when $N \neq Z$. While we provide evidence this arises from the physical nuclear force by contrasting with random two-body interactions which shows no such decrease, the exact mechanism is unclear. Nonetheless, the low entanglement suggests that in models of neutron-rich nuclides, the coupling between protons and neutrons may be less computationally demanding than one might otherwise expect.

Direct detection experiments are still one of the most promising ways to unravel the nature of dark matter. To fully understand how well these experiments constrain the dark matter interactions with the Standard Model particles, all the uncertainties affecting the calculations must be known. It is especially critical now because direct detection experiments recently moved from placing limits only on the two elementary spin independent and spin dependent operators to the complete set of possible operators coupling dark matter and nuclei in nonrelativistic theory. In our work, we estimate the effect of nuclear configuration-interaction uncertainties on the exclusion bounds for one of the existing xenon-based experiments for all fifteen operators. We find that for operator number 13 the $\pm 1\sigma$ uncertainty on the coupling between the dark matter and nucleon can reach more than 50% for dark matter masses between 10 and 1000 GeV. In addition, we discuss how quantum computers can help to reduce this uncertainty and how the uncertainties are affected for couplings obtained for the nonrelativistic reductions of the relativistic interactions.

While empirical shell model calculations have successfully described low-lying nuclear data for decades, only recently has significant effort been made to quantify the uncertainty in such calculations. Here we quantify the statistical error in effective parameters for transition operators in empirical calculations in the $sd$ ($1s_{1/2}$-$0d_{3/2}$-$0d_{5/2}$) valence space, specifically the quenching of Gamow-Teller transitions, effective charges for electric quadrupole (E2) transitions, and the effective orbital and spin couplings for magnetic dipole (M1) transitions. We find the quenching factor for Gamow-Teller transitions relative to free-space values is tightly constrained and that the isoscalar coupling of E2 is much more tightly constrained than the isovector coupling. For effective M1 couplings, we found isovector components more constrained than isoscalar, but that to get any sensible result we had to fix one of four couplings. This detailed quantification of uncertainties, while highly empirical, nonetheless is an important step towards interpretation of experiments.

Recent work, using an effective field theory framework, has shown the number of possible couplings between nucleons and the dark-matter-candidate Weakly Interacting Massive Particles (WIMPs) is larger than previously thought. Inspired by an existing Mathematica script that computes the target response, we have developed a fast, modern Fortran code, including optional OpenMP parallelization, along with a user-friendly Python wrapper, to swiftly and efficiently explore many scenarios, with output aligned with practices of current dark matter searches. A library of most of the important target nuclides is included; users may also import their own nuclear structure data, in the form of reduced one-body density matrices. The main output is the differential event rate as a function of recoil energy, needed for modeling detector response rates, but intermediate results such as nuclear form factors can be readily accessed.

Background: Computationally tractable models of atomic nuclei is a long-time goal of nuclear structure physics. A flexible framework which easily includes excited states and many-body correlations is the configuration-interaction shell model (SM), but the exponential growth of the basis means one needs an efficient truncation scheme, ideally one that includes both deformation and pairing correlations. Purpose: We propose an efficient truncation scheme of the SM: starting from a pair condensate variationally defined by Hartree-Fock single-particle states and the particle-number conserved Bardeen-Cooper-Schrieffer (NBCS) approximation, we carry out projection of states with good angular momentum. Methods: After generating Hartree-Fock single-particle states with Kramers degeneracy in a SM space, we optimize the pair amplitudes in the NBCS by minimizing the energy, and then use linear algebra projection (LAP) of states with good angular momentum. Both NBCS and LAP are computationally fast. Results: Our calculations yield good agreement with full configuration-interaction SM calculations for low-lying states of transitional and rotational nuclei with axially symmetric and triaxial deformation in medium- and heavy-mass regions: $^{44,46,48}$Ti, $^{48,50}$Cr, $^{52}$Fe, $^{60,62,64}$Zn, $^{66,68}$Ge, $^{68}$Se, and $^{108,110}$Xe. We predict low-lying states of $^{112-114}\textrm{Ba}$ and $^{116-120}\textrm{Ce}$, nuclei difficult to reach by large-scale SM calculations. Conclusions: Both pair correlation and the configuration mixing between different intrinsic states play a key role in reproducing collectivity and shape coexistence, demonstrating the utility of this truncation scheme of the SM to study transitional and deformed nuclei.

We present the results of a National Science Foundation (NSF) Project Scoping Workshop, the purpose of which was to assess the current status of calculations for the nuclear matrix elements governing neutrinoless double-beta decay and determine if more work on them is required. After reviewing important recent progress in the application of effective field theory, lattice quantum chromodynamics, and ab initio nuclear-structure theory to double-beta decay, we discuss the state of the art in nuclear-physics uncertainty quantification and then construct a road map for work in all these areas to fully complement the increasingly sensitive experiments in operation and under development. The road map contains specific projects in theoretical and computational physics as well as an uncertainty-quantification plan that employs Bayesian Model Mixing and an analysis of correlations between double-beta-decay rates and other observables. The goal of this program is a set of accurate and precise matrix elements, in all nuclei of interest to experimentalists, delivered together with carefully assessed uncertainties. Such calculations will allow crisp conclusions from the observation or non-observation of neutrinoless double-beta decay, no matter what new physics is at play.

Atomic nuclei exhibit deformation, pairing correlations, and rotational symmetries. To meet these competing demands in a computationally tractable formalism, we revisit the use of general pair condensates with good particle number as a trial wave function for even-even nuclei. After minimizing the energy of the condensate, allowing for general triaxial deformations, we project out states with good angular momentum with a fast projection technique. To show applicability, we present example calculations from pair condensates in several model spaces and compare against angular-momentum projected Hartree-Fock and full configuration-interaction shell-model calculations. This approach successfully generates spherical, vibrational, and rotational spectra, demonstrating potential for modeling medium- to heavy-mass nuclei.