We present the first application of a new approach, proposed in [Journal of Physics G: Nuclear and Particle Physics, 43, 04LT01 (2016)] to derive coupling constants of the Skyrme energy density functional (EDF) from ab initio Hamiltonian. By perturbing the ab initio Hamiltonian with several functional generators defining the Skyrme EDF, we create a set of metadata that is then used to constrain the coupling constants of the functional. We use statistical analysis to obtain such an ab initio-equivalent Skyrme EDF. We find that the resulting functional describes properties of atomic nuclei and infinite nuclear matter quite poorly. This may point out to the necessity of building up the ab initio-equivalent functionals from more sophisticated generators. However, we also indicate that the current precision of the ab initio calculations may be insufficient for deriving meaningful nuclear EDFs.
We review the main components of our microscopic model of nuclear matter, which we have recently extended to incorporate isospin asymmetry. Some frequently discussed issues concerning nuclear many-body approaches are revisited and critically analysed.
Ab initio has been used as a label in nuclear theory for over two decades. Its meaning has evolved and broadened over the years. We present our interpretation, briefly review its historical use, and discuss its present-day relation to theoretical uncertainty quantification.
Meaningful predictions for electric quadrupole (E2) observables from ab initio nuclear theory are necessary, if the ab initio description of collective correlations is to be confronted with experiment, as well as to provide predictive power for unknown E2 observables. However, converged results for E2 observables are notoriously challenging to obtain in ab initio no-core configuration interaction (NCCI) approaches. Matrix elements of the E2 operator are sensitive to the large-distance tails of the nuclear wave function, which converge slowly in an oscillator basis expansion. Similar convergenc…
Ab initio nuclear theory provides not only a microscopic framework for quantitative description of the nuclear many-body system, but also a foundation for deeper understanding of emergent collective correlations. A symplectic Sp(3,R)$\supset$U(3) dynamical symmetry is identified in ab initio predictions, from a no-core configuration interaction approach, and found to provide a qualitative understanding of the spectrum of 7Be. Low-lying states form an Elliott SU(3) spectrum, while an Sp(3,R) excitation gives rise to an excited rotational band with strong quadrupole connections to the ground sta…
We introduce the extension of the ab initio no-core shell model with continuum to describe three-body cluster systems. We present results for the ground state of 6He and show improvements with respect to the description obtained within the no-core shell model and the no-core shell model/resonating group methods.
We obtain properties of $^{12}$C in the {\it ab initio} no-core nuclear shell-model. The effective Hamiltonians are derived microscopically from the realistic CD-Bonn and the Argonne V8' nucleon-nucleon (NN) potentials as a function of the finite harmonic oscillator basis space. Binding energies, excitation spectra and electromagnetic properties are presented for model spaces up to $5\hbarΩ$. The favorable comparison with available data is a consequence of the underlying NN interaction rather than a phenomenological fit.
We propose a new approach to determine the strength of the charge symmetry breaking (CSB) term in the framework of nuclear density functional theory. It is shown that once ab initio calculations are available including accurate description of isospin symmetry breaking terms in medium and heavy nuclei, the mass difference of mirror nuclei as well as the neutron-skin thickness of doubly-closed-shell nuclei can be used to constrain the strength of the CSB interaction with an uncertainty less than $ 6 \, \% $, separately from other isospin symmetry breaking forces. This method opens a new vista of…
Theoretical predictions need quantified uncertainties for a meaningful comparison to experimental results. This is an idea which presently permeates the field of theoretical nuclear physics. In light of the recent progress in estimating theoretical uncertainties in ab initio nuclear physics, we here present and compare methods for evaluating the statistical part of the uncertainties. A special focus is put on the (for the field) novel method of Lagrange multipliers (LM). Uncertainties from the fit of the nuclear interaction to experimental data are propagated to a few observables in light-mass…
A systematic and specific pattern due to the effects of the tensor forces is found in the evolution of spin-orbit splittings in neutron drops. This result is obtained from relativistic Brueckner-Hartree-Fock theory using the bare nucleon-nucleon interaction. It forms an important guide for future microscopic derivations of relativistic and nonrelativistic nuclear energy density functionals.
We introduce a symplectic no-core configuration interaction (SpNCCI) framework for ab initio nuclear structure calculations, in a correlated many-body basis which encodes an approximate Sp(3,R) symmetry of the nucleus. Such a scheme potentially provides a means of restricting the many-body space to include only those highly-excited configurations which dominantly contribute to the nuclear wave function. We examine the symplectic symmetry structure arising in an illustrative ab initio SpNCCI calculation for 6Li. We observe both the dominance of symplectic symmetry in individual wave functions a…
We present results from ab initio No-Core Full Configuration simulations of the exotic proton-rich nucleus $^{14}$F whose first experimental observation is expected soon. The calculations with JISP16 NN interaction are performed up to the $N_{\max}=8$ basis space. The binding energy is evaluated using an extrapolation technique. This technique is generalized to excitation energies, verified in calculations of $^6$Li and applied to $^{14}$B, the $^{14}$F mirror, for which some data are available.
With a view toward describing reactions of intermediate-mass nuclei from first principles, we present first results for the norm and Hamiltonian overlaps (kernels) for the p-α, p-16O and p-20Ne cluster systems using realistic nucleon-nucleon interactions. This is achieved in the framework of a new ab initio approach that combines the symmetry-adapted no-core shell model (SA-NCSM) with the resonating group method (RGM). In this model, a physically relevant basis based on the SU(3) symmetry is used. The structure of the clusters is provided by the ab initio SA-NCSM, which enables the description…
The structure and reactions of light nuclei represent fundamental and formidable challenges for microscopic theory based on realistic strong interaction potentials. Several {\it ab initio} methods have now emerged that provide nearly exact solutions for some nuclear properties. The {\it ab initio} no core shell model (NCSM) and the no core full configuration (NCFC) method, frame this quantum many-particle problem as a large sparse matrix eigenvalue problem where one evaluates the Hamiltonian matrix in a basis space consisting of many-fermion Slater determinants and then solves for a set of the…
Isospin-symmetry breaking is responsible for the energy difference of excited states in mirror nuclei. It also influences the coefficient of the isobaric multiplet mass equation. In the present work, we extensively investigate isospin-symmetry breaking in medium mass nuclei within ab initio frameworks. For this, we employ the ab initio valence-space in-medium similarity renormalization group approach, in which charge-symmetry and charge-independence breakings are included in the adopted nuclear force. The mirror energies of sd- and pf- shell nuclei are computed for that matter. The effects of …
The prediction of nuclear observables beyond the finite model spaces that are accessible through modern ab initio methods, such as the no-core shell model, pose a challenging task in nuclear structure theory. It requires reliable tools for the extrapolation of observables to infinite many-body Hilbert spaces along with reliable uncertainty estimates. In this work we present a universal machine learning tool capable of capturing observable-specific convergence patterns independent of nucleus and interaction. We show that, once trained on few-body systems, artificial neural networks can produce …
We discuss the construction of a nuclear Energy Density Functional (EDF) from ab initio calculations, and we advocate the need of a methodical approach that is free from ad hoc assumptions. The equations of state (EoS) of symmetric nuclear and pure neutron matter are computed using the chiral NNLO$_{\rm sat}$ and the phenomenological AV4$^\prime$+UIX$_{c}$ Hamiltonians as inputs in the Self-consistent Green's Function (SCGF) and Auxiliary Field Diffusion Monte Carlo (AFDMC) methods, respectively. We propose a convenient parametrization of the EoS as a function of the Fermi momentum and fit it …
We present an introduction to ab initio nuclear theory with a focus on nuclear reactions. After a high-level overview of ab initio approaches in nuclear physics, we give a more detailed description of the no-core shell model technique equivalent to a large extent to configuration-interaction methods applied in quantum chemistry. We then introduce the no-core shell model with continuum approach that provides a quantum many-body description of nuclear reactions. After a brief review of nuclear reactions important for astrophysics, we present examples of results of ab initio calculations of radia…
An ab-initio description of atomic nuclei that solves the nuclear many-body problem for realistic nuclear forces is expected to possess a high degree of predictive power. In this contribution we treat the main obstacle, namely the short-ranged repulsive and tensor correlations induced by the realistic nucleon-nucleon interaction, by means of a unitary correlation operator. This correlator applied to uncorrelated many-body states imprints short-ranged correlations that cannot be described by product states. When applied to an observable it induces the correlations into the operator, creating fo…
Background: The nuclear kinetic density is one of many fundamental quantities in density functional theory (DFT) dependent on the nonlocal nuclear density. Often, approximations may be made when computing the density that may result in spurious contributions in other DFT quantities. With the ability to compute the nonlocal nuclear density from ab initio wave functions, it is now possible to estimate effects of such spurious contributions. Purpose: We derive the kinetic density using ab initio nonlocal scalar one-body nuclear densities computed within the no-core shell model (NCSM) approach, ut…
The past two decades have seen a revolution in ab initio calculations of nuclear properties. One key element has been the development of a rigorous effective interaction theory, applying unitary transformations to soften the nuclear Hamiltonian and hence accelerate the convergence as a function of the model space size. For consistency, however, one ought to apply the same transformation to other operators when calculating transitions and mean values from the eigenstates of the renormalized Hamiltonian. Working in a translationally-invariant harmonic oscillator basis for the two- and three-nucl…
I propose a simple and manageable method that allows for deriving coupling constants of model energy density functionals (EDFs) directly from ab initio calculations performed for finite fermion systems. A proof-of-principle application allows for linking properties of finite nuclei, determined by using the nuclear nonlocal Gogny functional, to the coupling constants of the quasilocal Skyrme functional. The method does not rely on properties of infinite fermion systems but on the ab initio calculations in finite systems. It also allows for quantifying merits of different model EDFs in describin…
We discuss the building blocks for a consistent inclusion of chiral three-nucleon (3N) interactions into ab initio nuclear structure calculations beyond the lower p-shell. We highlight important technical developments, such as the similarity renormalization group (SRG) evolution in the 3N sector, a JT-coupled storage scheme for 3N matrix elements with efficient on-the-fly decoupling, and the importance truncated no-core shell model with 3N interactions. Together, these developments make converged ab initio calculations with explicit 3N interactions possible also beyond the lower p-shell. We an…
This programmatic paper lays down the possibility to reconcile the necessity to resum many-body correlations into the energy kernel with the fact that safe multi-reference energy density functional (EDF) calculations cannot be achieved whenever the Pauli principle is not strictly enforced, as is for example the case when many-body correlations are parametrized under the form of empirical density dependencies. Our proposal is to exploit a newly developed ab initio many-body formalism to guide the construction of safe, explicitly correlated and systematically improvable parametrizations of the {…
I describe the computation of energy widths of nuclear states using an integral over the interaction region of ab initio variational Monte Carlo wave functions, and I present calculated widths for many states. I begin by presenting relations that connect certain short-range integrals to widths. I then present predicted widths for 5 <= A <= 9 nuclei, and I compare them against measured widths. They match the data more closely and with less ambiguity than estimates based on spectroscopic factors. I consider the consequences of my results for identification of observed states in ^8B, ^9He, and ^9…
Nuclear structure and reaction theory are undergoing a major renaissance with advances in many-body methods, strong interactions with greatly improved links to Quantum Chromodynamics (QCD), the advent of high performance computing, and improved computational algorithms. Predictive power, with well-quantified uncertainty, is emerging from non-perturbative approaches along with the potential for new discoveries such as predicting nuclear phenomena before they are measured. We present an overview of some recent developments and discuss challenges that lie ahead. Our focus is on explorations of al…
Ab initio short-range nuclear matrix elements for neutrinoless double-beta decay
TRIUMF（特柳姆夫实验室）；McGill University（麦吉尔大学）；University of British Columbia（不列颠哥伦比亚大学）；Massachusetts Institute of Technology（麻省理工学院）；Technische Universität Darmstadt（达姆施塔特工业大学）；ExtreMe Matter Institute EMMI, GSI Helmholtzzentrum für Schwerionenforschung GmbH（极端物质研究所EMMI，GSI重离子研究中心有限公司）
Structural phenomena in nuclei, from shell structure and clustering to superfluidity and collective rotations and vibrations, reflect emergent degrees of freedom. Ab initio theory describes nuclei directly from a fully microscopic formulation. We can therefore look to ab initio theory as a means of exploring the emergence of effective degrees of freedom in nuclei. For the illustrative case of emergent rotational bands in the Be isotopes, we establish an understanding of the underlying oscillator space and angular momentum (orbital and spin) structure. We consider no-core configuration interact…
At present there are two vastly different ab initio approaches to the description of the the many-body dynamics: the Density Functional Theory (DFT) and the functional integral (path integral) approaches. On one hand, if implemented exactly, the DFT approach can allow in principle the exact evaluation of arbitrary one-body observable. However, when applied to Large Amplitude Collective Motion (LACM) this approach needs to be extended in order to accommodate the phenomenon of surface-hoping, when adiabaticity is strongly violated and the description of a system using a single (generalized) Slat…
In this work we discuss the summation of the Parquet class of diagrams within Green's function theory as a possible framework for ab initio nuclear structure calculations. The theory is presented and some numerical details are discussed, in particular the approximations employed. We apply the Parquet method to a simple model, and compare our results with those from an exact solution. The main conclusion is that even at the level of approximation presented here, the results shows good agreement with other comparable ab initio approaches.
A new two-dimensional procedure for extrapolation of the values of matter, neutron, and proton radii obtained in no-core shell model (NCSM) calculations to infinite size of its basis is proposed. A relationship between the radii is used as an additional test. Together with the JISP16 potential, which is frequently used in NCSM calculations of the radii, the Daejeon16 potential is applied for these purposes for the first time. Halo nucleus 6He is the object of studies. The small spread of radii values, successful testing using relationship between the values of these three radii, and reasonable…
A novel machine learning approach is used to provide further insight into atomic nuclei and to detect orderly patterns amidst a vast data of large-scale calculations. The method utilizes a neural network that is trained on ab initio results from the symmetry-adapted no-core shell model (SA-NCSM) for light nuclei. We show that the SA-NCSM, which expands ab initio applications up to medium-mass nuclei by using dominant symmetries of nuclear dynamics, can reach heavier nuclei when coupled with the machine learning approach. In particular, we find that a neural network trained on probability ampli…
Through ab initio approaches in nuclear theory, we may now seek to quantitatively understand the wealth of nuclear collective phenomena starting from the underlying internucleon interactions. No-core configuration interaction (NCCI) calculations for p-shell nuclei give rise to rotational bands, as evidenced by rotational patterns for excitation energies, electromagnetic moments, and electromagnetic transitions. In this review, NCCI calculations of 7-9Be are used to illustrate and explore ab initio rotational structure, and the resulting predictions for rotational band properties are compared w…
An {\em ab initio} (i.e., from first principles) theoretical framework capable of providing a unified description of the structure and low-energy reaction properties of light nuclei is desirable to further our understanding of the fundamental interactions among nucleons, and provide accurate predictions of crucial reaction rates for nuclear astrophysics, fusion-energy research, and other applications. In this contribution we review {\em ab initio} calculations for nucleon and deuterium scattering on light nuclei starting from chiral two- and three-body Hamiltonians, obtained within the framewo…
We present the first ab initio calculations of nuclear ground states up into the domain of heavy nuclei, spanning the range from 16-O to 132-Sn based on two- plus three-nucleon interactions derived within chiral effective field theory. We employ the similarity renormalization group for preparing the Hamiltonian and use coupled-cluster theory to solve the many-body problem for nuclei with closed sub-shells. Through an analysis of theoretical uncertainties resulting from various truncations in this framework, we identify and eliminate the technical hurdles that previously inhibited the step beyo…
We perform no-core configuration interaction calculations for nuclei in the p-shell. We show that for typical light nuclei, a truncation on the total number of quanta in the many-body system converges much more rapidly than a full configuration interaction (FCI) truncation, which is a truncation on the single-particle basis space. We present new results for the ground state energies of the Be isotopes with the nonlocal two-body potential JISP16, and discuss emerging phenomena such as clustering and rotational band structures in 9Be. We also show that the anomalously suppressed beta decay of 14…
This paper describes some applications of GPU acceleration in ab initio nuclear structure calculations. Specifically, we discuss GPU acceleration of the software package MFDn, a parallel nuclear structure eigensolver. We modify the matrix construction stage to run partly on the GPU. On the Titan supercomputer at the Oak Ridge Leadership Computing Facility, this produces a speedup of approximately 2.2x - 2.7x for the matrix construction stage and 1.2x - 1.4x for the entire run.
No-core configuration interaction (NCCI) calculations for p-shell nuclei give rise to rotational bands, identified by strong intraband E2 transitions and by rotational patterns for excitation energies, electromagnetic moments, and electromagnetic transitions. However, convergence rates differ significantly for different rotational observables and for different rotational bands. The choice of internucleon interaction may also substantially impact the convergence rates. Consequently, there is a substantial gap between simply observing the qualitative emergence of rotation in ab initio calculatio…
This contribution reviews a number of applications of the ab initio no-core shell model (NCSM) within nuclear physics and beyond. We will highlight a nuclear-structure study of the A = 12 isobar using a chiral NN + 3NF interaction. In the spirit of this workshop we will also mention the new development of the NCSM formalism to describe open channels and to approach the problem of nuclear reactions. Finally, we will illustrate the universality of the many-body problem by presenting the recent adaptation of the NCSM effective-interaction approach to study the many-boson problem in an external tr…
Nuclear forces and the nuclear many-body problem have been some of Gerry Brown's main topics in his so productive life as a theoretical physicist. In this talk, I outline how Gerry's work laid the foundations of the modern theory of nuclear forces and ab initio calculations of atomic nuclei. I also present some recent developments obtained in the framework of nuclear lattice simulations.
A goal of nuclear theory is to make quantitative predictions of low-energy nuclear observables starting from accurate microscopic internucleon forces. A major element of such an effort is applying unitary transformations to soften the nuclear Hamiltonian and hence accelerate the convergence of ab initio calculations as a function of the model space size. The consistent simultaneous transformation of external operators, however, has been overlooked in applications of the theory, particularly for nonscalar transitions. We study the evolution of the electric dipole operator in the framework of th…
We study the process of dark matter particles scattering off $^{3,4}$He with nuclear wave functions computed using an ab initio many-body framework. We employ realistic nuclear interactions from chiral effective field theory at next-to-next-to-leading order (NNLO) and develop an ab initio scheme to compute a general set of different nuclear response functions. In particular, we then perform an accompanying uncertainty quantification on these quantities and study error propagation to physical observables. We find a rich structure of allowed nuclear responses with significant uncertainties for c…
Recently, ab initio techniques have been successfully connected to the traditional valence-space shell model. In doing so, they can either explicitly provide ab initio shell-model effective Hamiltonians or constrain the construction of empirical ones. In the present work, the possibility to follow a similar path for the nuclear energy density functional (EDF) method is analyzed. For this connection to be actualized, two theoretical techniques are instrumental: the recently proposed ab initio PGCM-PT many-body formalism and the MR-IMSRG pre-processing of the nuclear Hamiltonian. Based on both f…
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 …
Nuclear Lattice Effective Field Theory is a new many-body approach that is firmly rooted in the symmetries of QCD. In particular, it allows for truly ab initio calculations of nuclear structure and reactions. In this talk, I focus on the emergence of alpha-clustering in nuclei based on this approach. I also discuss various recent achievements, the deficiencies of the chiral forces used at present and the prospects to improve upon these and the calculations of nuclear properties and dynamics.
Balancing theory uncertainties in ab initio nuclear structure calculations: Many-body truncation versus finite basis size
CEA（法国原子能委员会）；Université Paris-Saclay（巴黎萨克雷大学）；Laboratoire Matière en Conditions Extrêmes（极端条件物质实验室）；Technische Universität Darmstadt（达姆施塔特工业大学）；Department of Physics（物理系）；ExtreMe Matter Institute EMMI（极端物质研究所EMMI）；GSI Helmholtzzentrum für Schwerionenforschung GmbH（GSI亥姆霍兹重离子研究中心有限公司）；Université Libre de Bruxelles（布鲁塞尔自由大学）；Institut d’Astronomie et d’Astrophysique（天体物理学与天文学研究所）；Brussels Laboratory of the Universe – BLU-ULB（布鲁塞尔宇宙实验室）；IRFU（核物理研究学院）；CEA, DES, IRESNE, DER, SPRC, LEPh；Max-Planck-Institut für Kernphysik（马克斯·普朗克核物理研究所）
Over the last decade, new developments in Similarity Renormalization Group techniques and nuclear many-body methods have dramatically increased the capabilities of ab initio nuclear structure and reaction theory. Ground and excited-state properties can be computed up to the tin region, and from the proton to the presumptive neutron drip lines, providing unprecedented opportunities to confront two- plus three-nucleon interactions from chiral Effective Field Theory with experimental data. In this contribution, I will give a broad survey of the current status of nuclear many-body approaches, and …
Nuclear structure models built from phenomenological mean fields, the effective nucleon-nucleon interactions (or Lagrangians), and the realistic bare nucleon-nucleon interactions are reviewed. The success of covariant density functional theory (CDFT) to describe nuclear properties and its influence on Brueckner theory within the relativistic framework are focused upon. The challenges and ambiguities of predictions for unstable nuclei without data or for high-density nuclear matter, arising from relativistic density functionals, are discussed. The basic ideas in building an ab initio relativist…
Infinite nuclear matter is a suitable laboratory to learn about nuclear forces in many-body systems. Modern theoretical predictions of neutron-rich matter are particularly timely in view of recent and planned measurements of observables which are sensitive to the equation of state of isospin-asymmetric matter. For these reasons, over the past several years we have taken a broad look at the equation of state of neutron-rich matter and the closely related symmetry energy, which is the focal point of this article. Its density dependence is of paramount importance for a number of nuclear and astro…
