Two aspects of the problem of evaluating double odd-even mass differences D_2 in semi-magic nuclei are studied related to existence of two components with different properties, a superfluid nuclear subsystem and a non-superfluid one. For the superfluid subsystem, the difference D_2 is approximately equal to 2Δ, the gap Δbeing the solution of the gap equation. For the non-superfluid subsystem, D_2 is found by solving the equation for two-particle Green function for normal systems. Both equations under consideration contain the same effective pairing interaction. For the latter, the semi-microscopic model is used in which the main term calculated from the first principles is supplemented with a small phenomenological addendum containing one phenomenological parameter supposed to be universal for all medium and heavy atomic nuclei.
A brief review of recent microscopic calculations of nuclear pairing gap is given. A semi-microscopic model is suggested in which the ab-initio effective pairing interaction is supplemented with a small phenomenological addendum. It involves a parameter which is universal for all medium and heavy nuclei. Calculations for several isotopic and isotonic chains of semi-magic nuclei confirm the relevance of the model.
An overview of the ab initio no-core shell model is presented. Recent results for light nuclei obtained with the chiral two-nucleon and three-nucleon interactions are highlighted. Cross section calculations of capture reactions important for astrophysics are discussed. The extension of the ab initio no-core shell model to the description of nuclear reactions by the resonating group method technique is outlined.
We show the first results for the elastic scattering of neutrons off oxygen and calcium isotopes obtained from ab initio optical potentials. The potential is derived using self consistent Green's function theory (SCGF) with the saturating chiral interaction NNLO$_{\textrm{sat}}$. Our calculations are compared to available scattering data and show that it is possible to reproduce low energy scattering observables in medium mass nuclei from first principles.
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…
We derive ab initio optical potentials from self-consistent Green's function (SCGF) theory and compute the elastic scattering of neutrons off oxygen and calcium isotopes. The comparison with scattering data is satisfactory at low scattering energies. The method is benchmarked against no-core shell model with continuum (NCSMC) calculations, showing that virtual excitations of the target are crucial to predict proper fragmentation and absorption at higher energies. This is a significant step toward deriving optical potentials for medium mass nuclei and complex many-body systems in general.
This review presents some of the challenges in constructing models of atomic nuclei starting from theoretical descriptions of the strong interaction between nucleons. The focus is on statistical computing and methods for analyzing the link between bulk properties of atomic nuclei, such as radii and binding energies, and the underlying microscopic description of the nuclear interaction. The importance of careful model calibration and uncertainty quantification of theoretical predictions is highlighted.
We consider T=0 states in even-even and odd-odd N=Z nuclei. The g factors that emerge are isoscalar. We find that the single j shell model gives simple expressions for these g factors which for even-even nuclei are suprisingly close to the collective values for K=0 bands. The g factors of many 2+ in even-even nuclei and 1+ and 3+ states in odd-odd nuclei have g factors close to 0.5.
We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multi-reference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of ground and excited states of closed and open-shell nuclei. Building on the key advantages of the two methods---the decoupling of excitations at the many-body level in the IM-SRG and the access to arbitrary nuclei, eigenstates, and observables in the NCSM---their combination enables fully converged no-core calculations for an unprecedented range of nuclei and…
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…
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…
The ${^3{\rm He}}(α,γ){^7{\rm Be}}$ and ${^3{\rm H}}(α,γ){^7{\rm Li}}$ astrophysical $S$ factors are evaluated at low collision energies (less than 2.5 MeV in the centre-of-mass frame) within the no-core shell model with continuum approach using a renormalized chiral nucleon-nucleon interaction.
Conflicting coupling of unpaired nucleons in the odd-odd nuclei is discussed. A very simple explanation is suggested for the damping of the energy spacing of the lowest levels in the rotational bands in the odd-odd nuclei in the case of a "conflicting" coupling of the odd proton and neutron comparative to those of the bands based on the state of the strongly-coupled particle in the neighbouring odd nuclei entering the "conflicting" configuration.
An ab-initio calculation scheme for finite nuclei based on self-consistent Green's functions in the Gorkov formalism is developed. It aims at describing properties of doubly-magic and semi-magic nuclei employing state-of-the-art microscopic nuclear interactions and explicitly treating pairing correlations through the breaking of U(1) symmetry associated with particle number conservation. The present paper introduces the formalism, necessary to undertake applications at (self-consistent) second-order using two-nucleon interactions, in a detailed and self-contained fashion. First applications of…
Some binding-energy-related quantities serving as effective order parameters have been used to analyze the shape phase transition in the odd Sm nuclei. It is found that the signals of phase transition in the odd Sm nuclei are greatly enhanced in contrast to the even Sm nuclei. A further analysis shows that the transitional behaviors related to pairing in the Sm nuclei can be well described by the mean field plus pairing interaction model, with a monotonic decrease in the pairing strength $G$.
After identifying the nuclei in the regions near A =80 and A = 160 for which beta-decay rates have the greatest effect on weak and main r-process abundance patterns, we apply the finite-amplitude method (FAM) with Skyrme energy-density functionals (EDFs) to calculate beta-decay half-lives of those nuclei in the quasiparticle random-phase approximation (QRPA). We use the equal filling approximation to extend our implementation of the charge-changing FAM, which incorporates pairing correlations and allows axially symmetric deformation, to odd-A and odd-odd nuclei. Within this framework we find d…
As ab-initio calculations of atomic nuclei enter the A=40-100 mass range, a great challenge is how to approach the vast majority of open-shell (degenerate) isotopes. We add realistic three-nucleon interactions to the state of the art many-body Green's function theory of closed-shells, and find that physics of neutron driplines is reproduced with very good quality. Further, we introduce the Gorkov formalism to extend ab-initio theory to semi-magic, fully open-shell, isotopes. Proof-of-principle calculations for Ca-44 and Ni-74 confirm that this approach is indeed feasible. Combining these two a…
We use properties of doubly-magic nuclei and ab-initio calculations of low-density neutron matter to constrain Skyrme equations of state for neutron-rich conditions. All of these properties are consistent with a Skyrme functional form and a neutron-matter equation of state that depends on three parameters. With a reasonable range for the neutron-matter effective mass, the values of the two other Skyrme parameters are well constrained. This leads to predictions for other quantities. The neutron skins for $^{208}$Pb and $^{48}$Ca are predicted to be 0.182(10) fm and 0.173(5) fm, respectively. Ot…
Toward $\textit{Ab Initio}$ Quantum Simulations of Atomic Nuclei Using Noisy Qubits
State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University（北京大学物理学院核物理与技术国家重点实验室）；Southern Center for Nuclear-Science Theory (SCNT), Institute of Modern Physics, Chinese Academy of Sciences（中国科学院近代物理研究所南方核科学理论中心）
We propagate the statistical uncertainty of experimental NN scattering data into the binding energy of $^3$H and $^4$He. We also study the sensitivity of the magnetic moment and proton radius of the $^3$H to changes in the NN interaction. The calculations are made with the no-core full configuration method in a sufficiently large harmonic oscillator basis. For those light nuclei we obtain $ΔE$($^3$H) = 0.015 MeV and $ΔE$($^4$He) = 0.055 MeV.
In the present work, we have reported shell model results for open shell nuclei Ne, Mg and Si isotopes with $10 \leq N \leq 20$ in $sd$-shell model space. We have performed calculations in $sd$ shell with two $ab~initio$ approaches: in-medium similarity renormalization group (IM-SRG) and coupled-cluster (CC) theory. We have also performed calculations with phenomenological USDB interaction and chiral effective field theory based CEFT interaction. The results for rotational spectra and $B(E2;2_1^+\rightarrow 0_1^+)$ transitions are reported for even-mass isotopes. The IM-SRG and CC results are …
We present the first ab initio coupled-cluster calculations of medium-mass nuclei with explicit chiral three-nucleon (3N) interactions. Using a spherical formulation of coupled cluster with singles and doubles excitations including explicit 3N contributions, we study ground states of 16,24-O, 40,48-Ca and 56-Ni. We employ chiral NN plus 3N interactions softened through a similarity renormalization group (SRG) transformation at the three-body level. We investigate the impact of all truncations and quantify the resulting uncertainties---this includes the contributions from triples excitations, t…
A new convenient method for precise theoretical calculations of quantities of traditional theory of nuclear reactions such as widths of resonances (including sub-threshold), and asymptotic normalization coefficients is proposed. This method may be considered as a step on the road to full theoretical ab initio description of light nuclei spectroscopic data. As an illustration of this method the computational results for all relevant two-body channels for all known and some theoretically predicted states of 7Li nucleus are shown. Well-proven on a large amount of data Daejeon16 potential was used…
We present a systematic analysis of the description of odd nuclei by the Skyrme-Hartree-Fock approach augmented with pairing in BCS approximation and blocking of the odd nucleon. Current and spin densities in the Skyrme functional produce time-odd mean fields (TOMF) for odd nuclei. Their effect on basic properties (binding energies, odd-even staggering, separation energies and spectra) is investigated for the three Skyrme parameterizations SkI3, SLy6, and SV-bas. About 1300 spherical and axially-deformed odd nuclei with 16 < Z < 92 are considered. The calculations demonstrate that the TOMF eff…
The emergence of rotational bands is observed in no-core configuration interaction (NCCI) calculations for the odd-mass Be isotopes (7<=A<=13) with the JISP16 nucleon-nucleon interaction, as evidenced by rotational patterns for excitation energies, quadrupole moments, and E2 transitions. Yrast and low-lying excited bands are found. The results demonstrate the possibility of well-developed rotational structure in NCCI calculations using a realistic nucleon-nucleon interaction.
We study the use of truncated normal-ordered three-nucleon interactions in ab initio nuclear structure calculations starting from chiral two- plus three-nucleon Hamiltonians evolved consistently with the similarity renormalization group (SRG). We present three key steps: (i) a rigorous benchmark of the normal-ordering approximation in the importance-truncated no-core shell model (IT-NCSM) for 4-He, 16-O, and 40-Ca; (ii) a direct comparison of the IT-NCSM results with coupled-cluster calculations at the singles and doubles level (CCSD) for 16-O; and (iii) first applications of SRG-evolved chira…
Simple methods in the frame work of the broken pair model have been worked out for odd-odd nuclei. The reliability of the model has been tested by reproducing the shell model results of limiting cases in which the broken pair model exactly coincides with the shell model. The model is then applied to calculate the energy levels of some nuclei in the Zirconium region. The model results compare reasonably well with the shell model as well as with the experimental data.
We study the efficacy of a new ab initio framework that combines the symmetry-adapted (SA) no-core shell-model approach with the resonating group method (RGM) for unified descriptions of nuclear structure and reactions. We obtain ab initio neutron-nucleus interactions for $^4$He, $^{16}$O, and $^{20}$Ne targets, starting with realistic nucleon-nucleon potentials. We discuss the effect of increasing model space sizes and symmetry-based selections on the SA-RGM norm and direct potential kernels, as well as on phase shifts, which are the input to calculations of cross sections. We demonstrate the…
Nuclear structure and reaction theory are undergoing a major renaissance with advances in many-body methods, realistic interactions with greatly improved links to Quantum Chromodynamics, the advent of high performance computing, and improved computational algorithms. State-of-the-art two- and three-nucleon interactions obtained from chiral Effective Field Theory provide a theoretical foundation for nuclear theory with controlled approximations. With highly efficient numerical codes, tuned to the current generation of supercomputers, we can perform ab-initio nuclear structure calculations for a…
Based on the spectator expansion of the multiple scattering series we employ a chiral next-to-next-to-leading order (NNLO) nucleon-nucleon interaction on the same footing in the structure as well as in the reaction calculation to obtain an in leading-order consistent effective potential for nucleon-nucleus elastic scattering, which includes the spin of the struck target nucleon. As an example we present proton scattering off $^{12}$C.
The electric dipole moments (EDMs) of neutron-odd nuclei with even protons are systematically evaluated. We first derive the relation between the EDM and the magnetic moment operators by making use of the core polarization scheme. This relation enables us to calculate the EDM of neutron-odd nuclei without any free parameters. From this calculation, one may find the best atomic system suitable for future EDM experiments.
We use the finite amplitude method (FAM), an efficient implementation of the quasiparticle random phase approximation, to compute beta-decay rates with Skyrme energy-density functionals for 3983 nuclei, essentially all the medium-mass and heavy isotopes on the neutron rich side of stability. We employ an extension of the FAM that treats odd-mass and odd-odd nuclear ground states in the equal filling approximation. Our rates are in reasonable agreement both with experimental data where available and with rates from other global calculations.
We use properties of doubly-magic nuclei, ab-initio calculations of low-density neutron matter, and of neutron stars to constrain the parameters of the Skyrme energy-density functional. We find all of these properties can be reproduced within a constrained family of Skyrme parameters. The maximum mass of a neutron star is found to be sensitive to the neutron effective mass. A value of [$ m^{*}_{\rm n}/m](ρ_0) = 0.60-0.65 $ is required to obtain a maximum neutron star mass of 2.1 solar masses. Using the constrained Skyrme functional with the aforementioned effective mass, the predicted radius f…
The nuclear shell model assumes an effective mean-field plus interaction Hamiltonian in a specific configuration space. We want to understand how various interaction matrix elements affect the observables, the collectivity in nuclei and the nuclear level density for odd-A and odd-odd nuclei. Using the sd and pf shells, we vary specific groups of matrix elements and study the evolution of energy levels, transition rates and the level density. In all cases studied, a transition between a "normal" and a collective phase is induced, accompanied by an enhancement of the level density in the collect…
In order to extract informations on pairing correlations in nuclei from experimental mass differences, the different contributions to odd-even mass differences are investigated within the Skyrme HFB method. In this first paper, the description of odd nuclei within HFB is discussed since it is the key point for the understanding of the above mentioned contributions. To go from an even nucleus to an odd one, the advantage of a two steps process is demonstrated and its physical content is discussed. New results concerning time-reversal symmetry breaking in odd-nuclei are also reported. PACS: 21.1…
In this work we present $ab~initio$ shell-model calculations for electric quadrupole moments and magnetic dipole moments of $sd$ shell nuclei using valence-space Hamiltonians derived with two $ab~initio$ approaches: the in-medium similarity renormalization group (IM-SRG) and the coupled-cluster effective interaction (CCEI). Results are in a reasonable agreement with the available experimental data as well as with the results from the phenomenological USDB effective interaction. This work will add more information to the available $ab~initio$ results for the spectroscopy of $sd$ shell nuclei.
We discuss the studies of light nuclei in ab initio No-core Full Configuration approach based on extrapolations to the infinite model space of large-scale No-core Shell Model calculations on supercomputers. The convergence at the end of p shell and beginning of the sd shell can be achieved if only reasonable soft enough NN interactions are used. In particular, good predictions are obtained with a realistic JISP16 NN interaction obtained in J-matrix inverse scattering approach and fitted to reproduce light nuclei observables without three-nucleon forces. We discuss the current status of this NN…
Two types of average neutron-proton interaction formulas are compared: In the first type, neutron-proton interactions for even-even and odd-$A$ nuclei extracted from experimental binding energies show a smooth behavior as a function of mass number $A$ and are dominated by the contribution from the symmetry energy. Whereas in the second type large systematic staggering is seen between even-$A$ and odd-$A$ nuclei. This deviation is understood in term of the additional neutron-proton interaction in odd-odd nuclei relative to the neighboring even-even and odd-$A$ systems. We explore three possible…
We perform shell model calculations in odd-odd nuclei using a quadrupole-quadrupole interaction and single-particle splittings chosen so as to obtain the SU(3) results. Elliott had shown that such an interaction gives rotational bands for which the energies go as I(I+1). This is certainly true for eve-even and for odd-even or even-odd nuclei with $K\neq 1/2$. We have looked at odd-odd nuclei e.g $^{22}Na$ and found somewhat different behaviour. In $^{22}Na$ the $I=1^+_1 T=0$ and $I=0^+_1 T=1$ states are degenerate, and a rotational band built on the $I=0^+_1 T=1$ state behaves in a normal fash…
The iterative quasi-particle-random-phase approximation (QRPA) method we previously developed to accurately calculate properties of individual nuclear states is extended so that it can be applied for nuclei with odd numbers of neutrons and protons. The approach is based on the proton-neutron-QRPA (pnQRPA) and uses an iterative non-hermitian Arnoldi diagonalization method where the QRPA matrix does not have to be explicitly calculated and stored. The method is used to calculate excitation energies of proton-neutron multiplets for several nuclei. The influence of a pairing interaction in the $T=…
We study the interplay between the isoscalar (T=0) and isovector (T=1) pairing correlations in N=Z odd-odd nuclei from 14N to 58Cu by using three-body model calculations. The strong spin-triplet T=0 pairing correlation dominates in the ground state of 14N, 18F, 30P, and 58Cu with the spin-parity J^π=1+, which can be well reproduced by the present calculations. The magnetic dipole and Gamow-Teller transitions are found to be strong in 18F and 42Sc as a manifestation of SU(4) symmetry in the spin-isospin space. We also discuss the spin-quadrupole transitions in these nuclei.
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…
We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbed LSU3shell, by analyzing ab initio results for 6Li and 12C in large harmonic oscillator model spaces and SU(3)-selected subspaces. We demonstrate LSU3shell's strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and significa…
We study the isoscalar (T=0) and isovector (T=1) pairing correlations in N=Z nuclei. They are estimated from the double difference of binding energies for odd-odd N=Z nuclei and the odd-even mass difference for the neighboring odd-mass nuclei, respectively. The empirical and BCS calculations based on a T=0 and T=1 pairing model reproduce well the almost degeneracy of the lowest T=0 and T=1 states over a wide range of even-even and odd-odd N=Z nuclei. It is shown that this degeneracy is attributed to competition between the isoscalar and isovector pairing correlations in N=Z nuclei. The calcula…
Quantum shape-phase transitions in odd-even nuclei are investigated in the framework of the interacting boson-fermion model. Classical and quantum analysis show that the presence of the odd fermion strongly influences the location and nature of the phase transition, especially near the critical point. Experimental evidence for the occurrence of spherical to axially-deformed transitions in odd-proton nuclei Pm, Eu and Tb (Z=61, 63, 65) is presented.
Chiral rotation observed in $^{128}$Cs is studied using the newly developed microscopic triaxial projected shell model (TPSM) approach. The observed energy levels and the electromagnetic transition probabilities of the nearly degenerate chiral dipole bands in this isotope are well reproduced by the present model. This demonstrates the broad applicability of the TPSM approach, based on a schematic interaction and angular-momentum projection technique, to explain a variety of low- and high-spin phenomena in triaxial rotating nuclei.
The Kerman-Klein-Donau-Frauendorf (KKDF) model is a linearized version of the Kerman-Klein (equations of motion) formulation of the nuclear many-body problem. In practice, it is a generalization of the standard core-particle coupling model that, like the latter, provides a description of the spectroscopy of odd nuclei in terms of the properties of neighboring even nuclei and of single-particle properties, that are the input parameters of the model. A divers sample of recent applications attest to the usefulness of the model. In this paper, we first present a concise general review of the funda…
An article by Covello, Gargano and Itaco [Phys.Rev. C 56, 3092 (1997)] tries to find evidence for the important role of the residual tensor force between the valence proton and neutron in doubly odd deformed nuclei. It is shown that observable effects discussed by these authors do not fully justify their rather strong conclusions.
We develop a new method to describe properties of truly open-shell nuclei. This method is based on single-reference coupled-cluster theory and the equation-of-motion method with extensions to nuclei with $A\pm 2$ nucleons outside a closed shell. We perform proof-of-principle calculations for the ground states of the helium isotopes $^{3-6}$He and the first excited $2^+$ state in $^6$He. The comparison with exact results from matrix diagonalization in small model spaces demonstrates the accuracy of the coupled-cluster methods. Three-particle--one-hole excitations of $^4$He play an important rol…
We present No-Core Full Configuration results for the ground state energies of all particle-stable p-shell nuclei, as well as the excitation energies of more than 40 narrow states, excluding isobaric analog states. We used the chiral LENPIC nucleon-nucleon plus three-nucleon interaction at N2LO with semi-local coordinate space regulators, and also the phenomenological Daejeon16 nucleon-nucleon potential. With simple exponential extrapolations of the total energies of each state, binding energies and spectra are found to be in good agreement with experiment. Both interactions produce a trend to…
We present a formalism to describe proton emission from odd-odd nuclei based on a scattering like approach. Special emphasis is given to the case of transitions between states with different deformations. As an example we estimate the proton half-life of the odd-odd nucleus $^{58}$Cu. Our calculations show that the change of deformation in the decay process has a significant influence on the half-life. In addition, the angular momentum coupling of proton and neutron orbitals can result in an important $K$-hindrance of the decay. To fully account for the observed half-life in $^{58}$Cu, one has…
Neutron rich Zr nuclei with number of neutrons between $N$= 50 and 82 are investigated in the relativistic mean field approach in co-ordinate space. The resonant levels in the positive energy continuum have been explicitly included in the calculation. Odd nuclei have been treated in the blocking approximation. Our calculation indicates that the dripline for odd mass isotopes is far away from that for the even mass ones. Pairing interaction plays a significant role in stabilizing the even isotopes, thus extending the dripline for them.
Background: Low-energy transfer reactions in which a proton is stripped from a deuteron projectile and dropped into a target play a crucial role in the formation of nuclei in both primordial and stellar nucleosynthesis, as well as in the study of exotic nuclei using radioactive beam facilities and inverse kinematics. Ab initio approaches have been successfully applied to describe the $^3$H$(d,n)^4$He and $^3$He$(d,p)^4$He fusion processes. Purpose: An ab initio treatment of transfer reactions would also be desirable for heavier targets. In this work, we extend the ab initio description of $(d,…
The quartet condensation model (QCM) is extended for the treatment of isovector and isoscalar pairing in odd-odd N=Z nuclei. In the extended QCM approach the lowest states of isospin T=1 and T=0 in odd-odd nuclei are described variationally by trial functions composed by a proton-neutron pair appended to a condensate of 4-body operators. The latter are taken as a linear superposition of an isovector quartet, built by two isovector pairs coupled to the total isospin T=0, and two collective isoscalar pairs. In all pairs the nucleons are distributed in time-reversed single-particle states of axia…
