In these proceedings, we report first results for particle-number and angular-momentum projection of self-consistently blocked triaxial one-quasiparticle HFB states for the description of odd-A nuclei in the context of regularized multi-reference energy density functionals, using the entire model space of occupied single-particle states. The SIII parameterization of the Skyrme energy functional and a volume-type pairing interaction are 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…
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 have studied odd-even nuclear mass staggering with the Skyrme-Hartree-Fock-Bogoliubov theory by employing isoscalar and isovector contact pairing interactions. By reproducing the empirical odd-even mass differences of the Sn isotopic chain, the strengths of pairing interactions are determined. The optimal strengths adjusted in this work can give better description of odd-even mass differences than that fitted by reproducing the experimental neutron pairing gap of $^{120}$Sn.
I discuss the inadequacy of the "projected density" prescription to be used in density dependent forces/functionals when calculations beyond mean field are pursued. The case of calculations aimed at the symmetry restoration of mean fields obtained with effective realistic forces of the Skyrme or Gogny type is considered in detail. It is shown that at least for the restoration of spatial symmetries like rotations, translations or parity the above prescription yields catastrophic results for the energy that drive the intrinsic wave function to configurations with infinite deformation, preventing…
We investigate the role of odd-odd (with respect to time inversion) couplings in the Skyrme force on collisions of light nuclei, employing a fully three-dimensional numerical treatment without any symmetry restrictions and with modern Skyrme functionals. We demonstrate the necessity of these couplings to suppress spurious spin excitations owing to the spin-orbit force in free translational motion of a nucleus but show that in a collision situation there is a strong spin excitation even in spin-saturated systems which persists in the departing fragments. The energy loss is considerably increase…
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…
The self-consistent continuum Skyrme-Hartree-Fock-Bogoliubov theory formulated with Green's function technique in the coordinate space is developed to investigate odd-$A$ nuclei by incorporating the blocking effect. In a calculation performed with the SLy4 parameter for the neutron-rich Mg isotopes with $A=36-42$ around the neutron shell closure N=28, the odd-even staggering in the neutron rms radius, i.e., a larger value in $^{39}$Mg than those in $^{38}$Mg and $^{40}$Mg, is found. The large neutron radius in $^{39}$Mg is due to the blocking effect on the pair correlation energy, for which th…
We describe the new version 4.0 of the code hfbtho that solves the nuclear Hartree-Fock-Bogoliubov problem by using the deformed harmonic oscillator basis in cylindrical coordinates. In the new version, we have implemented the restoration of rotational, particle number, and reflection symmetry. The restoration of rotational symmetry does not require using bases closed under rotation. Furthermore, the SeaLL1 functional was added and the calculation of the Coulomb potential was improved. Finally, the code has been refactored to facilitate maintenance and future developments.
This article extends previous studies on the effect of tensor terms in the Skyrme energy density functional by breaking of time-reversal invariance. We have systematically probed the impact of tensor terms on properties of superdeformed rotational bands calculated within the cranked Hartree-Fock-Bogoliubov approach for different parameterizations covering a wide range of values for the isoscalar and isovector tensor coupling constants. We analyze in detail the contribution of the tensor terms to the energies and dynamical moments of inertia and study their impact on quasi-particle spectra. Spe…
Time-odd densities and their effect on electric giant resonances are investigated within the self-consistent separable random-phase-approximation (SRPA) model for various Skyrme forces (SkT6, SkO, SkM*, SIII, SGII, SLy4, SLy6, SkI3). Time-odd densities restore Galilean invariance of the Skyrme functional, violated by the effective-mass and spin-orbital terms. In even-even nuclei these densities do not contribute to the ground state but can affect the dynamics. As a particular case, we explore the role of the current density in description of isovector E1 and isoscalar E2 giant resonances in a …
To study the exotic odd nuclear systems, the self-consistent continuum Skyrme-Hartree-Fock-Bogoliubov theory formulated with Green's function technique is extended to include blocking effects with the equal filling approximation. Detailed formula are presented.To perform the integrals of the Green's function properly, the contour paths $C_{\rm b}^{-}$ and $C_{\rm b}^{+}$ introduced for the blocking effects should include the blocked quasi-particle state but can not intrude into the continuum area. By comparing with the box-discretized calculations, the great advantages of the Green's function …
Variation after particle-number restoration is incorporated for the first time into the Hartree-Fock-Bogoliubov framework employing the Skyrme energy density functional with zero-range pairing. The resulting projected HFB equations can be expressed in terms of the local gauge-angle-dependent densities. Results of projected calculations are compared with those obtained within the Lipkin-Nogami method in the standard version and with the Lipkin-Nogami method followed by exact particle-number projection.
We study the effect of time-odd components of the Skyrme energy density functionals on the ground state of finite nuclei and in nuclear matter. The spin-density dependent terms, which have been recently proposed as an extension of the standard Skyrme interaction, are shown to change the total binding energy of odd-nuclei by only few tenths of keV, while the time-odd components of standard Skyrme interactions give an effect that is larger by one order of magnitude. The HFB-17 mass formula based on a Skyrme parametrization is adjusted including the new spin-density dependent terms. A comprehensi…
Self-consistent mean field calculations with the SLy4 interaction and a density-dependent pairing force are presented for nuclei in the Nobelium mass region. Predicted quasi-particle spectra are compared with experiment for the heaviest known odd N and odd Z nuclei. Spectra and rotational bands are presented for nuclei around No252,4 for which experiments are either planned or already running.
The formalism of linear response theory for Skyrme forces including tensor terms presented in article [1] is generalized for the case of a Skyrme energy density functional in infinite matter. We also present analytical results for the odd-power sum rules, with particular attention to the inverse energy weighted sum rule, $M_{-1}$, as a tool to detect instabilities in Skyrme functionals.
We describe the new version (v2.38j) of the code HFODD which solves the nuclear Skyrme-Hartree-Fock or Skyrme-Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented: (i) projection on good angular momentum (for the Hartree-Fock states), (ii) calculation of the GCM kernels, (iii) calculation of matrix elements of the Yukawa interaction, (iv) the BCS solutions for state-dependent pairing gaps, (v) the HFB solutions for broken simplex symmetry, (vi) calculation of Bohr deformation parameters, (vii) constraints on the Schi…
Two applications of mean-field calculations based on 3D coordinate-space techniques are presented. The first concerns the structure of odd-N superheavy elements that have been recently observed experimentally and shows the ability of the method to describe, in a self-consistent way, very heavy odd-mass nuclei. Our results are consistent with the experimental data. The second application concerns the introduction of correlations beyond a mean-field approach by means of projection techniques and configuration mixing. Results for Mg isotopes demonstrate that the restoration of rotational symmetry…
We formulate the self-consistent separable random-phase-approximation (SRPA) method and specify it for Skyrme forces with pairing for the case of axially symmetric deformed nuclei. The factorization of the residual interaction allows to avoid diagonalization of high-rank RPA matrices, which dramatically reduces the computational expense. This advantage is crucial for the systems with a huge configuration space, first of all for deformed nuclei. SRPA takes self-consistently into account the contributions of both time-even and time-odd Skyrme terms as well as of the Coulomb force and pairing. Th…
Hartree-Fock calculations with the SKX Skyrme interaction are carried out to obtain alpha-decay Q values for deformed nuclei above $^{208}$Pb assuming axial symmetry. The results for even-even nuclei are compared with experiment and with previous calculations. Predictions are made for alpha-decay Q values and half-lives of even-even super-heavy nuclei. The results are also compared for the recently discovered odd-even chain starting at Z=112 and N=165.
We study the spinodal instabilities of asymmetric nuclear matter at finite temperature within the microscopic Brueckner--Hartree--Fock (BHF) approximation using the realistic Argonne V18 nucleon-nucleon potential plus a three-body force of Urbana type. Our results are compared with those obtained with the Skyrme force SLy230a and the relativistic mean field models NL3 and TW. We find that BHF predicts a larger spinodal region. This result is a direct consequence of the fact that our Brueckner calculation predicts a larger critical temperature and saturation density of symmetric nuclear matter …
The giant dipole resonance (GDR) in deformed nuclei is analyzed using the self-consistent separable random-phase-approximation (SRPA) with Skyrme forces SkT6, SkM$^*$, SLy6 and SkI3. The deformed nuclei $^{150}$Nd and $^{238}$U are used as representative rare-earth and actinide samples. Dependencies of the dipole strength distributions on some basic characteristics of the Skyrme functional and nuclear matter properties (isoscalar and isovector effective masses, time-odd contributions) are discussed. Particular attention is paid to the fragmentation structure of the GDR strength which are shown…
Models based on nuclear energy density functionals can provide access to a multitude of observables for thousands of nuclei in a single framework with microscopic foundations. Such models can rival the accuracy of more phenomenological approaches, but doing so requires adjusting parameters to thousands of nuclear masses. To keep such large-scale fits feasible, several symmetry restrictions are generally imposed on the nuclear configurations. One such example is time-reversal invariance, which is generally enforced via the Equal Filling Approximation (EFA). Here we lift this assumption, enablin…
Prompted by recent work of Adhikari, Cohen, Ayyagari and Strother "On chiral symmetry restoration at finite density in large-N_c QCD" (Phys. Rev. C 83, 065201 (2011)), we revisit the description of dense baryonic matter in terms of hyperspherical unit cells. We focus mainly on the interpretation of the unique energy, curvature and symmetry properties which enable such S^3 cells to describe full chiral restoration in Skyrme models and which markedly distinguish them from the flat and periodic unit cells of Skyrmion crystals. These key features clarify, in particular, why an S^3 cell interpretat…
We report on the first Skyrme-Hartree-Fock calculations with the tilted-axis cranking in the context of magnetic rotation. The mean field symmetries, differences between phenomenological and self-consistent methods and the generation of shears-like structures in the mean field are discussed. Significant role of the time-odd spin-spin effective interaction is pointed out. We reproduce the shears mechanism, but quantitative agreement with experiment is rather poor. It may have to do with too large core polarization, lack of pairing correlations or properties of the Skyrme force.
We investigate the effects of the spin-isospin channel of the Skyrme energy functional on predictions for Gamow-Teller distributions and superdeformed rotational bands. We use the generalized Skyrme interaction SkO' to describe even-even ground states and then analyze the effects of time-odd spin-isospin couplings, first term by term and then together via linear regression. Some terms affect the strength and energy of the Gamow-Teller resonance in finite nuclei without altering the Landau parameter g_0' that to leading order determines spin-isospin properties of nuclear matter. Though the exis…
The formalism of the linear response for the Skyrme energy density functional including tensor terms derived in articles [1,2] for nuclear matter is applied here to the case of pure neutron matter. As in article [2] we present analytical results for the response function in all channels, the Landau parameters and the odd-power sum rules. Special emphasis is given to the inverse energy weighted sum rule because it can be used to detect non physical instabilities. Typical examples are discussed and numerical results shown. Moreover, as a direct application, neutrino propagation in neutron matter…
We calculate the Schiff moment of the nucleus 199Hg, created by pi-N-N vertices that are odd under parity (P) and time-reversal (T). Our approach, formulated in diagrammatic perturbation theory with important core-polarization diagrams summed to all orders, gives a close approximation to the expectation value of the Schiff operator in the odd-A Hartree-Fock-Bogoliubov ground state generated by a Skyrme interaction and a weak P- and T-odd pion-exchange potential. To assess the uncertainty in the results, we carry out the calculation with several Skyrme interactions (the quality of which we test…
A method to evaluate the particle-phonon coupling (PC) corrections to the single-particle energies in semi-magic nuclei, based on a direct solving the Dyson equation with PC corrected mass operator, is used for finding the odd-even mass difference between 18 even Pb isotopes and their odd-proton neighbors. The Fayans energy density functional (EDF) DF3-a is used which gives rather high accuracy of the predictions for these mass differences already on the mean-field level, with the average deviation from the existing experimental data equal to 0.389 MeV. It is only a bit worse than the correspo…
We calculate properties of the ground and excited states of nuclei in the nobelium region for proton and neutron numbers of 92 <= Z <= 104 and 144 <= N <= 156, respectively. We use three different energy-density-functional (EDF) approaches, based on covariant, Skyrme, and Gogny functionals, each within two different parameter sets. A comparative analysis of the results obtained for odd-even mass staggerings, quasiparticle spectra, and moments of inertia allows us to identify single-particle and shell effects that are characteristic to these different models and to illustrate possible systemati…
We perform calculations of the variation after parity projection with Skyrme interaction for ground and excited states of even-even Mg isotopes. Using the 3D real-space representation, we can take into account any kind of deformation; e.g., cluster structure, gamma-deformation. We also perform the full 3D angular momentum projection to obtained rotational spectra and B(E2). In 24Mg, the ground K^pi=0+ and several odd-parity bands are calculated. In 30,32,34Mg, our calculation reproduces a breaking of the N=20 magic number, so-called "Island of inversion" phenomena. Properties of both the groun…
We study one-quasiproton excitations in the rare-earth region in the framework of the nuclear Density Functional Theory in the Skyrme-Hartree-Fock-Bogoliubov variant. The blocking prescription is implemented exactly, with the time-odd mean field fully taken into account. The equal filling approximation is compared with the exact blocking procedure. We show that both procedures are strictly equivalent when the time-odd channel is neglected, and discuss how nuclear alignment properties affect the time-odd fields. The impact of time-odd fields on calculated one-quasiproton bandhead energies is fo…
We use the finite amplitude method for computing charge-changing Skyrme-QRPA transition strengths in axially-deformed nuclei together with a modern Skyrme energy-density functional to fit several previously unconstrained parameters in the charge-changing time-odd part of the functional. With the modified functional we then calculate rates of beta-minus decay for all medium-mass and heavy even-even nuclei between the valley of stability and the neutron drip line. We fit the Skyrme parameters to a limited set of beta-decay rates, a set of Gamow-Teller resonance energies, and a set of spin-dipole…
We use the axially-deformed Skyrme Quasiparticle Random-Phase Approximation (QRPA) together with the SkM* energy-density functional, both as originally presented and with the time-odd part adjusted to reproduce the Gamow-Teller resonance energy in 208Pb, to calculate the matrix elements governing the neutrinoless double-beta decay of 76Ge, 130Te, 136Xe, and 150Nd. Our matrix elements in 130Te and 136Xe are significantly smaller than those of previous QRPA calculations, primarily because of the difference in pairing or deformation between the initial and final nuclei. In 76Ge and 150Nd our resu…
The self-consistent separable RPA (random phase approximation) method is formulated for Skyrme forces with pairing. The method is based on a general self-consistent procedure for factorization of the two-body interaction. It is relevant for various density- and current-dependent functionals. The contributions of the time-even and time-odd Skyrme terms as well as of the Coulomb and pairing terms to the residual interaction are taken self-consistently into account. Most of the expression have a transparent analytical form, which makes the method convenient for the treatment and analysis. The sep…
The restoration of the parity symmetry has been performed in the framework of the Highly Truncated Diagonalization Approach suited to treat correlations in an explicitly particle-number conserving microscopic approach. To do so we have assumed axial symmetry and used a generalized Wick's theorem due to Löwdin in a projection-after-variation scheme. We have chosen the Skyrme SkM$^*$ energy-density functional for the particle-hole channel and a density-independent delta force for the residual interaction. We have applied this approach in the region of the outer fission barrier of the $^{240}$Pu …
Nuclei in the $Z\approx100$ mass region represent the heaviest systems where detailed spectroscopic information is experimentally available. Although microscopic-macroscopic and self-consistent models have achieved great success in describing the data in this mass region, a fully satisfying precise theoretical description is still missing. By using fine-tuned parametrizations of the energy density functionals, the present work aims at an improved description of the single-particle properties and rotational bands in the nobelium region. Such locally optimized parameterizations may have better p…
[Background] Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has been pointed out that these techniques are ill-defined for standard Skyrme functionals, and a regularization procedure has been proposed to remove the resulting spuriosities from such calculations. This procedure imposes an integer power of the density for the density dependent terms of the functional. At present, only dated parameterizations of the Skyrme inte…
Systematic calculations of ground-state spin and parity of odd-mass nuclei have been performed within the Hartree--Fock--BCS (HFBCS) approach and the Finite-Range Droplet Model for nuclei for which experimental data are available. The unpaired nucleon has been treated perturbatively, and axial and left-right reflection symmetries have been assumed. As for the HFBCS approach, three different Skyrme forces have been used in the particle-hole channel, whereas the particle-particle matrix elements have been approximated by a seniority force. The calculations have been done for the 621 nuclei for w…
The Skyrme effective interaction, with its multitude of parameterisations, along with its implemen- tation using the static and time-dependent density functional (TDHF) formalism have allowed for a range of microscopic calculations of low-energy heavy-ion collisions. These calculations allow variation of the effective interaction along with an interpretation of the results of this variation informed by a comparison to experimental data. Initial progress in implementing TDHF for heavy-ion collisions necessarily used many approximations in the geometry or the interaction. Over the last decade or…
In this work, we study the odd-even effect in binding energies and charge radii, and systematic behavior of differential radii, to identify the underlying components of the effective nuclear interaction. We apply nuclear density functional theory using a family of Fayans and Skyrme energy density functionals fitted to similar datasets but using different optimization protocols. We inspect various correlations between differential charge radii, odd-even staggering in energies and radii, and nuclear matter properties. Detailed analysis is carried out for medium-mass and heavy semi-magic nuclei w…
Background: Nuclear self-consistent mean-field approaches are rooted in the density functional theory and, through the spontaneous symmetry breaking mechanism, allow for including important correlations, while keeping the simplicity of the approach. Because real ground states should have all symmetries of the nuclear Hamiltonian, these methods require subsequent symmetry restoration. Purpose: We implement and study Lipkin method of approximate variation after projection applied to the restoration of the translational or rotational symmetries. Methods: We use Lipkin operators up to quadratic te…
Anomalous isotope shifts in the chain of light Hg isotopes are investigated by using the Hartree-Fock-Bogoliubov method with the Skyrme SIII, SkI3 and SLy4 forces. The sharp increase in the mean-square radius of the odd mass $^{181-185}$Hg isotopes is well explained in terms of the transition from an oblate to a prolate shape in the ground state of these isotopes. We discuss the polarization energy of time-odd mean-field terms in relation to the blocked level by the odd neutron.
The coordinate-space Hartree-Fock-Bogoliubov (HFB) approach with quasiparticle blocking has been applied to study the odd-A weakly bound nuclei $^{17,19}$B and $^{37}$Mg, in which halo structures have been reported in experiments. The Skyrme nuclear forces SLy4 and UNEDF1 have been adopted in our calculations. The results with and without blocking have been compared to demonstrate the emergence of deformed halo structures due to blocking effects. In our calculations, $^{19}$B and $^{37}$Mg have remarkable features of deformed halos.
The neutron and proton odd-even mass differences are studied with Hartree-Fock+BCS (HFBCS) calculations with Skyrme interactions and an isospin dependent contact pairing interaction, which is recently derived from a microscopic nucleon-nucleon interaction. To this end, we perform HFBCS calculations for even and odd semi-magic Tin and Lead isotopes together with even and odd Z isotones with $N$= 50 and 82. The filling approximation is applied to the last unoccupied particle in odd nuclei. Comparisons with the experimental data show a clear manifestation of the isospin dependent pairing correlat…
We address the question of how to improve the agreement between theoretical nuclear single-particle energies (SPEs) and experiment. Empirically, in doubly magic nuclei, the SPEs can be deduced from spectroscopic properties of odd nuclei that have one more, or one less neutron or proton. Theoretically, bare SPEs, before being confronted with experiment, must be corrected for the effects of the particle-vibration-coupling (PVC). In the present work, we determine the PVC corrections in a fully self-consistent way. Then, we adjust the SPEs, with PVC corrections included, to empirical data. In this…
We investigate two kinds of extensions for the variational Monte Carlo (VMC) method with the Pfaffian in the nuclear shell-model calculations. One is the extension to odd-mass nuclei, for which we find a new Pfaffian expression of the VMC matrix elements. We can, thereby, give a unified VMC framework both for even and odd mass nuclei. The other is the extension of the variation after angular-momentum projection. We successfully implement the full angular-momentum projected trial state into the VMC method, which can provide us with the precise yrast energies. We also find a unique characteristi…
The possible exotic nuclear properties in the neutron-rich Ca, Ni, Zr, and Sn isotopes are explored with the continuum Skyrme Hartree-Fock-Bogoliubov theory formulated with the Green's function method. The available experimental two-neutron separation energies $S_{\rm 2n}$ and one-neutron separation energies $S_{\rm n}$ are well reproduced. Much shorter drip lines predicted by $S_{\rm n}$ are obtained compared with those by $S_{\rm 2n}$. The systematic studies of the neutron pairing energies $-E_{\rm pair}$ shown that values of the odd-$A$ nuclei are much smaller in comparison with those of th…
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…
Background: [elided for arXiv character count] Purpose: With the advancement of computational power it is now possible to undertake TDHF calculations without any symmetry assumptions and incorporate the major strides made by the nuclear structure community in improving the energy density functionals used in these calculations. In particular, time-odd and tensor terms in these functionals are naturally present during the dynamical evolution, while being absent or minimally important for most static calculations. The parameters of these terms are determined by the requirement of Galilean invaria…
Beta-decay properties of proton-rich odd-A and even-even Krypton isotopes are studied in the framework of a deformed selfconsistent Hartree-Fock calculation with density-dependent Skyrme forces, including pairing correlations between like nucleons in BCS approximation. Residual spin-isospin interactions are consistently included in the particle-hole and particle-particle channels and treated in Quasiparticle Random Phase Approximation. The similarities and differences in the treatment of even-even and odd-A nuclei are stressed. Comparison to available experimental information is done for Gamow…
Elastic electron scattering from oriented odd-Aaxially deformed nuclei is studied in the plane-wave Born approximation. The nuclear structure is described within a microscopic selfconsistent Skyrme deformed Hartree-Fock approximation with pairing correlations. The interference form factors between monopole and quadrupole Coulomb terms that characterize the nuclear response with aligned nuclear targets are shown to increase or decrease the unpolarized cross-section, depending on the sign of the quadrupole deformation. This feature provides valuable information on the nuclear deformation that ca…
The radial basis function (RBF) approach has been used to improve the mass predictions of nuclear models. However, systematic deviations exist between the improved masses and the experimental data for nuclei with different odd-even parities of ($Z$, $N$), i.e., the (even $Z$, even $N$), (even $Z$, odd $N$), (odd $Z$, even $N$), and (odd $Z$, odd $N$). By separately training the RBF for these four different groups, it is found that the systematic odd-even deviations can be cured in a large extend and the predictive power of nuclear mass models can thus be further improved. Moreover, this new ap…
