Nuclear Many-body Calculations Research Articles

NuHamil : A numerical code to generate nuclear two- and three-body matrix elements from chiral effective field theory

The applicability of nuclear ab initio calculations has rapidly extended over the past decades. However, starting research projects is still challenging due to the required numerical expertise in the generation of underlying nuclear interaction matrix elements and many-body calculations. To ease the first issue, in this paper we introduce the numerical code NuHamil to generate the nucleon-nucleon (NN) and three-nucleon (3N) matrix elements expressed in a spherical harmonic-oscillator basis, inputs of many-body calculations. The ground-state energies for the selected doubly closed shell nuclei are calculated with the no-core shell-model (NCSM) and in-medium similarity renormalization group (IMSRG). The code is written in modern Fortran, and OpenMP+MPI hybrid parallelization is available for the 3N matrix-element calculations.

Shell evolution in neutron-rich nuclei: the single particle perspective * *Supported by the National Natural Science Foundation of China (12075121, 11605089), and the Natural Science Foundation of Jiangsu Province (BK20190067, BK20150762)

The isospin dependence of spin-orbit (SO) splitting becomes increasingly important as N/Z increases in neutron-rich nuclei. Following the initial independent-particle strategy toward explaining the occurrence of magic numbers, we systematically investigated the isospin effect on the shell evolution in neutron-rich nuclei within the Woods-Saxon mean-field potential and the SO term. It is found that new magic numbers N = 14 and N =16 may emerge in neutron-rich nuclei if one changes the sign of the isospin-dependent term in the SO coupling, whereas the traditional magic number, N = 20, may disappear. The magic number N = 28 is expected to be destroyed despite the sign choice of the isospin part in the SO splitting, corresponding to the strength of the SO coupling term. Meanwhile, the N = 50 and 82 shells may persist within the single particle scheme, although there is a decreasing trend of their gaps toward extreme proton-deficient nuclei. Besides, an appreciable energy gap appears at N = 32 and 34 in neutron-rich Ca isotopes. All these results are more consistent with those of the interacting shell model when enhancing the strength of the SO potential in the independent particle model. The present study may provide a more reasonable starting point than the existing one for not only the interacting shell model but also other nuclear many-body calculations toward the neutron-dripline of the Segrè chart.

Path from Lattice QCD to the Short-Distance Contribution to 0νββ Decay with a Light Majorana Neutrino.

Neutrinoless double-β (0νββ) decay of certain atomic isotopes, if observed, will have significant implications for physics of neutrinos and models of physics beyond the standard model. In the simplest scenario, if the mass of the light neutrino of the standard model has a Majorana component, it can mediate the decay. Systematic theoretical studies of the decay rate in this scenario, through effective field theories matched to abinitio nuclear many-body calculations, are needed to draw conclusions about the hierarchy of neutrino masses, and to plan the design of future experiments. However, a recently identified short-distance contribution at leading order in the effective field theory amplitude of the subprocess nn→pp(ee) remains unknown, and only lattice quantum chromodynamics (QCD) can directly and reliably determine the associated low-energy constant. While the numerical computations of the correlation function for this process are underway with lattice QCD, the connection to the physical amplitude, and hence this short-distance contribution, is missing. A complete framework that enables this complex matching is developed in this Letter. The complications arising from the Euclidean and finite-volume nature of the corresponding correlation function are fully resolved, and the value of the formalism is demonstrated through a simple example. The result of this work, therefore, fills the gap between first-principles studies of the nn→pp(ee) amplitude from lattice QCD and those from effective field theory, and can be readily employed in the ongoing lattice-QCD studies of this process.

Nuclear matrix elements for the 0νββ(0+→2+) decay of Ge76 within the two-nucleon mechanism

In this work we present the first beyond closure calculation for the neutrinoless double beta decay ($0\nu\beta\beta$) of $^{76}$Ge to the first $2^+$ states of $^{76}$Se. The isospin symmetry restored Quasi-particle random phase approximation (QRPA) method with the CD-Bonn realistic force is adopted for the nuclear structure calculations. We analyze the structure of the two nucleon mechanism nuclear matrix elements, and estimate the uncertainties from the nuclear many-body calculations. We find $g_{pp}$ plays an important role for the calculations and if quenching is included, suppression for the transition matrix element $M_{\lambda}$ is found. Our results for the transition matrix elements are about one order of magnitude larger than previous projected Hatree-Fock-Boglyubov results with the closure approximation.

Entanglement rearrangement in self-consistent nuclear structure calculations

Background: Entanglement plays a central role in a diverse array of increasingly important research areas, including quantum computation, simulation, measurement, sensing, and communication. Extensive suites of investigations have been performed to better understand entanglement in atomic and molecular quantum many-body systems, while the exploration of entanglement in the structure of nuclei and their reactions is presently in its infancy.Purpose: The goal of this work is to begin investigating the entanglement properties of nuclei from first-principles nuclear many-body calculations. We attempt to identify common features and emergent structures of entanglement that could ultimately lead to new and natural many-body schemes. With an eye toward quantum accelerators in future hybrid-supercomputers, criteria for partitioning nuclear many-body calculations into quantum and classical components may provide advantages in future large-scale computations. Along the way we look for explanations of the relative success of phenomenological models such as the nuclear shell model, and for better ways to match to low-energy nuclear effective field theories and lattice QCD calculations to nuclear many-body techniques that are based upon entanglement.Method: We explore the entanglement between single-particle states in $^{4}\mathrm{He}$ and $^{6}\mathrm{He}$. The patterns of entanglement emerging from different single-particle bases are compared, and possible links with the convergence of observables are explored, in particular, ground-state energies. The nuclear wave functions are obtained by performing active-space no-core configuration-interaction calculations using a two-body nucleon-nucleon interaction derived from chiral effective field theory. Entanglement measures within single-particle bases exhibiting different degrees of complexity are determined, in particular, harmonic oscillator (HO), Hartree-Fock (HF), natural (NAT) and variational natural (VNAT) bases. Specifically, single-orbital entanglement entropy, two-orbital mutual information, and negativity are studied.Results: The entanglement structures in $^{4}\mathrm{He}$ and $^{6}\mathrm{He}$ are found to be more localized within NAT and VNAT bases than within a HO basis for the optimal HO parameters we have worked with. In particular a core-valence structure clearly emerges from the full no-core calculation of $^{6}\mathrm{He}$. The two-nucleon mutual information shows that the VNAT basis, which typically exhibits good convergence properties, effectively decouples the active and inactive spaces.Conclusions: Measures of one- and two-nucleon entanglement are found to be useful in analyzing the structure of nuclear wave functions, in particular the efficacy of basis states, and may provide useful metrics toward developing more efficient schemes for ab initio computations of the structure and reactions of nuclei, and quantum many-body systems more generally.

Extracting free-space observables from trapped interacting clusters

The energy spectrum of two short-range interacting particles in a harmonic potential trap has previously been related to free-space scattering phase shifts. But the existing formula for this purpose is exact only in the limit of an infinitely shallow trap. Here we provide a systematically improved formula---describing the low-energy dynamics---that enables the use of finite traps. This paves the way for extracting nuclear scattering phase shifts from {\it ab initio} nuclear many-body structure calculations, a long-sought goal in nuclear physics. The derivation establishes effective field theory as a powerful framework for studying the connection between structure information of a trapped system (with two or more sub-clusters) and continuum physics in the fields of both nuclear and condensed-matter physics.

Density-dependent NN interaction from subsubleading chiral 3N forces: Intermediate-range contributions

From the subsubleading chiral three-nucleon force [intermediate-range contributions, published in Phys. Rev. C\,87, 054007 (2013)] a density-dependent NN-interaction $V_\text{med}$ is derived in isospin-symmetric nuclear matter. Following the division of the pertinent 3N-diagrams into two-pion-one-pion exchange topology and ring topology, one evaluates for these all selfclosings and concatenations of nucleon-lines to an in-medium loop. In the case of the $2\pi 1\pi$-exchange topology, the momentum- and $k_f$-dependent potentials associated with the isospin-operators ($1$ and $\vec\tau_1 \!\cdot\! \vec\tau_2$) and five independent spin-structures require at most one numerical integration. For the more challenging (concatenations of the) ring diagrams proportional to $c_{1,2,3,4}$, one ends up with regularized double-integrals $\int_0^\lambda dr\,r \int_0^{\pi/2} d\psi$ from which the $\lambda^2$-divergence has been subtracted and the logarithmic piece $\sim \ln (m_\pi/\lambda)$ is isolated. The derived semi-analytical results are most helpful to implement the subsubleading chiral 3N-forces into nuclear many-body calculations.

Density-dependent NN interaction from subleading chiral three-nucleon forces: Long-range terms

We derive from the subleading contributions to the chiral three-nucleon (3N) force [long-range terms; published by V. Bernard et al., Phys. Rev. C 77, 064004 (2008)] a density-dependent two-nucleon interaction ${V}_{\text{med}}$ in isospin-symmetric, spin-saturated nuclear matter. Following the division of the pertinent 3N diagrams into two-pion-exchange topology, two-pion-one-pion--exchange topology, and ring topology, we evaluate for these all self-closings and concatenations of nucleon lines to an in-medium loop. The momentum and ${k}_{f}$-dependent potentials associated with the isospin operators (1 and ${\stackrel{P\vec}{\ensuremath{\tau}}}_{1}\ifmmode\cdot\else\textperiodcentered\fi{}{\stackrel{P\vec}{\ensuremath{\tau}}}_{2}$) and five independent spin structures are expressed in terms of functions which either are given in closed analytical form or require at most one numerical integration. In the same way we treat the $2\ensuremath{\pi}$-exchange 3N force at sub-subleading order. Our results for ${V}_{\text{med}}$ are most helpful to implement long-range subleading chiral 3N forces into nuclear many-body calculations.

Density-dependent NN interaction from subleading chiral 3N forces: Short-range terms and relativistic corrections

We derive from the subleading contributions to the chiral three-nucleon force (short-range terms and relativistic corrections, published in Phys. Rev. C84, 054001 (2011)) a density-dependent two-nucleon interaction $V_\text{med}$ in isospin-symmetric nuclear matter. The momentum and $k_f$-dependent potentials associated with the isospin operators ($1$ and $ \vec\tau_1\!\cdot\!\vec\tau_2$) and five independent spin-structures are expressed in terms of loop functions, which are either given in closed analytical form or require at most one numerical integration. Our results for $V_\text{med}$ are most helpful to implement subleading chiral 3N-forces into nuclear many-body calculations.

Heavy Physics Contributions to Neutrinoless Double Beta Decay from QCD.

Observation of neutrinoless double beta decay, a lepton number violating process that has been proposed to clarify the nature of neutrino masses, has spawned an enormous world-wide experimental effort. Relating nuclear decay rates to high-energy, beyond the standard model (BSM) physics requires detailed knowledge of nonperturbative QCD effects. Using lattice QCD, we compute the necessary matrix elements of short-range operators, which arise due to heavy BSM mediators, that contribute to this decay via the leading order π^{-}→π^{+} exchange diagrams. Utilizing our result and taking advantage of effective field theory methods will allow for model-independent calculations of the relevant two-nucleon decay, which may then be used as input for nuclear many-body calculations of the relevant experimental decays. Contributions from short-range operators may prove to be equally important to, or even more important than, those from long-range Majorana neutrino exchange.

Many-body calculations with deuteron based single-particle bases and their associated natural orbits

We use the recently introduced single-particle states obtained from localized deuteron wave-functions as a basis for nuclear many-body calculations. We show that energies can be substantially lowered if the natural orbits (NOs) obtained from this basis are used. We use this modified basis for , and employing the bare NNLOopt nucleon–nucleon interaction. The lowering of the energies increases with the mass. Although in principle NOs require a full scale preliminary many-body calculation, we found that an approximate preliminary many-body calculation, with a marginal increase in the computational cost, is sufficient. The use of natural orbits based on an harmonic oscillator basis leads to a much smaller lowering of the energies for a comparable computational cost.

Lattice QCD input for nuclear structure and reactions

Explorations of the properties of light nuclear systems beyond their lowestlying spectra have begun with Lattice Quantum Chromodynamics. While progress has been made in the past year in pursuing calculations with physical quark masses, studies of the simplest nuclear matrix elements and nuclear reactions at heavier quark masses have been conducted, and several interesting results have been obtained. A community effort has been devoted to investigate the impact of such Quantum Chromodynamics input on the nuclear many-body calculations. Systems involving hyperons and their interactions have been the focus of intense investigations in the field, with new results and deeper insights emerging. While the validity of some of the previous multi-nucleon studies has been questioned during the past year, controversy remains as whether such concerns are relevant to a given result. In an effort to summarize the newest developments in the field, this talk will touch on most of these topics.

A new single-particle basis for nuclear many-body calculations

Predominantly, harmonic oscillator single-particle wave functions are the preferred choice for a basis in ab initio nuclear many-body calculations. These wave-functions, although very convenient in order to evaluate the matrix elements of the interaction in the laboratory frame, have too fast a fall-off at large distances. In the past, as an alternative to the harmonic oscillator, other single-particle wave functions have been proposed. In this work, we propose a new single-particle basis, directly linked to nucleon–nucleon interaction. This new basis is orthonormal and complete, has the proper asymptotic behavior at large distances and does not contain the continuum which would pose severe convergence problems in nuclear many body calculations. We consider the newly proposed NNLO-opt nucleon–nucleon interaction, without any renormalization. We show that, unlike other bases, this single-particle representation has a computational cost similar to the harmonic oscillator basis with the same space truncation and it gives lower energies for 6He and 6Li.

Isotensor Axial Polarizability and Lattice QCD Input for Nuclear Double-β Decay Phenomenology.

The potential importance of short-distance nuclear effects in double-β decay is assessed using a lattice QCD calculation of the nn→pp transition and effective field theory methods. At the unphysical quark masses used in the numerical computation, these effects, encoded in the isotensor axial polarizability, are found to be of similar magnitude to the nuclear modification of the single axial current, which phenomenologically is the quenching of the axial charge used in nuclear many-body calculations. This finding suggests that nuclear models for neutrinoful and neutrinoless double-β decays should incorporate this previously neglected contribution if they are to provide reliable guidance for next-generation neutrinoless double-β decay searches. The prospects of constraining the isotensor axial polarizabilities of nuclei using lattice QCD input into nuclear many-body calculations are discussed.

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 knockout 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.

Toward order-by-order calculations of the nuclear and neutron matter equations of state in chiral effective field theory

We calculate the nuclear and neutron matter equations of state from microscopic nuclear forces at different orders in chiral effective field theory and with varying momentum-space cutoff scales. We focus attention on how the order-by-order convergence depends on the choice of resolution scale and the implications for theoretical uncertainty estimates on the isospin asymmetry energy. Specifically we study the equations of state using consistent NLO and N2LO (next-to-next-to-leading order) chiral potentials where the low-energy constants cD and cE associated with contact vertices in the N2LO chiral three-nucleon force are fitted to reproduce the binding energies of 3H and 3He as well as the beta-decay lifetime of 3H. At these low orders in the chiral expansion there is little sign of convergence, while an exploratory study employing the N3LO two-nucleon force together with the N2LO three-nucleon force give first indications for (slow) convergence with low-cutoff potentials and poor convergence with higher-cutoff potentials. The consistent NLO and N2LO potentials described in the present work provide the basis for estimating theoretical uncertainties associated with the order-by-order convergence of nuclear many-body calculations in chiral effective field theory.

Neutron–proton effective mass splitting in neutron-rich matter and its impacts on nuclear reactions

The neutron–proton effective mass splitting in neutron-rich nucleonic matter reflects the spacetime nonlocality of the isovector nuclear interaction. It affects the neutron/proton ratio during the earlier evolution of the Universe, cooling of proto-neutron stars, structure of rare isotopes and dynamics of heavy-ion collisions. While there is still no consensus on whether the neutron–proton effective mass splitting is negative, zero or positive and how it depends on the density as well as the isospin-asymmetry of the medium, significant progress has been made in recent years in addressing these issues. There are different kinds of nucleon effective masses. In this mini-review, we focus on the total effective masses often used in the non-relativistic description of nuclear dynamics. We first recall the connections among the neutron–proton effective mass splitting, the momentum dependence of the isovector potential and the density dependence of the symmetry energy. We then make a few observations about the progress in calculating the neutron–proton effective mass splitting using various nuclear many-body theories and its effects on the isospin-dependence of in-medium nucleon–nucleon cross-sections. Perhaps, our most reliable knowledge so far about the neutron–proton effective mass splitting at saturation density of nuclear matter comes from optical model analyses of huge sets of nucleon–nucleus scattering data accumulated over the last five decades. The momentum dependence of the symmetry potential from these analyses provide a useful boundary condition at saturation density for calibrating nuclear many-body calculations. Several observables in heavy-ion collisions have been identified as sensitive probes of the neutron–proton effective mass splitting in dense neutron-rich matter based on transport model simulations. We review these observables and comment on the latest experimental findings.

Transport coefficients of heavy quarks aroundTcat finite quark chemical potential

The interactions of heavy quarks with the partonic environment at finite temperature $T$ and finite quark chemical potential $\mu_q$ are investigated in terms of transport coefficients within the Dynamical Quasi-Particle model (DQPM) designed to reproduce the lattice-QCD results (including the partonic equation of state) in thermodynamic equilibrium. These results are confronted with those of nuclear many-body calculations close to the critical temperature $T_c$. The hadronic and partonic spatial diffusion coefficients join smoothly and show a pronounced minimum around $T_c$, at $\mu_q=0$ as well as at finite $\mu_q$. Close and above $T_c$ its absolute value matches the lQCD calculations for $\mu_q=0$. The smooth transition of the heavy quark transport coefficients from the hadronic to the partonic medium corresponds to a cross over in line with lattice calculations, and differs substantially from perturbative QCD (pQCD) calculations which show a large discontinuity at $T_c$. This indicates that in the vicinity of $T_c$ dynamically dressed massive partons and not massless pQCD partons are the effective degrees-of-freedom in the quark-gluon plasma.

Symmetry energy impact in simulations of core-collapse supernovae

We present a review of a broad selection of nuclear matter equations of state (EOSs) applicable in core-collapse supernova studies. The large variety of nuclear matter properties, such as the symmetry energy, which are covered by these EOSs leads to distinct outcomes in supernova simulations. Many of the currently used EOS models can be ruled out by nuclear experiments, nuclear many-body calculations, and observations of neutron stars. In particular the two classical supernova EOS describe neutron matter poorly. Nevertheless, we explore their impact in supernova simulations since they are commonly used in astrophysics. They serve as extremely soft and stiff representative nuclear models. The corresponding supernova simulations represent two extreme cases, e.g., with respect to the protoneutron star (PNS) compactness and shock evolution. Moreover, in multi-dimensional supernova simulations EOS differences have a strong effect on the explosion dynamics. Because of the extreme behaviors of the classical supernova EOSs we also include DD2, a relativistic mean field EOS with density-dependent couplings, which is in satisfactory agreement with many current nuclear and observational constraints. This is the first time that DD2 is applied to supernova simulations and compared with the classical supernova EOS. We find that the overall behaviour of the latter EOS in supernova simulations lies in between the two extreme classical EOSs. As pointed out in previous studies, we confirm the impact of the symmetry energy on the electron fraction. Furthermore, we find that the symmetry energy becomes less important during the post bounce evolution, where conversely the symmetric part of the EOS becomes increasingly dominating, which is related to the high temperatures obtained. Moreover, we study the possible impact of quark matter at high densities and light nuclear clusters at low and intermediate dens

Probing the high-density behavior of symmetry energy with gravitational waves

Gravitational wave (GW) astronomy opens up an entirely new window on the Universe to probe the equations of state (EOS) of neutron-rich matter. With the advent of next generation GW detectors, measuring the gravitational radiation from coalescing binary neutron star systems, mountains on rotating neutron stars, and stellar oscillation modes may become possible in the near future. Using a set of model EOSs satisfying the latest constraints from terrestrial nuclear experiments, state of the art nuclear many-body calculations of the pure neutron matter EOS, and astrophysical observations consistently, we study various GW signatures of the high-density behavior of the nuclear symmetry energy, which is considered among the most uncertain properties of dense neutron-rich nucleonic matter. In particular, we find the tidal polarizability of neutron stars, potentially measurable in binary systems just prior to merger, is more sensitive to the high density component of the nuclear symmetry energy than the symmetry energy at nuclear saturation density. We also find that the upper limit on the GW strain amplitude from elliptically deformed stars is very sensitive to the density dependence of the symmetry energy. This suggests that future developments in modeling of the neutron star crust, and direct gravitational wave signals from accreting binaries will provide a wealth of information on the EOS of neutron-rich matter. We also review the sensitivity of the $r$-mode instability window to the density dependence of the symmetry energy. Whereas models with larger values of the density slope of the symmetry energy at saturation seem to be disfavored by the current observational data, within a simple $r$-mode model, we point out that a subsequent softer behavior of the symmetry energy at high densities (hinted at by recent observational interpretations) could rule them in.