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J. Dobaczewski

Publications and source records attributed to J. Dobaczewski.

At least 37 records · Page 2Linked to original sources
arXiv2021

Solution of universal nonrelativistic nuclear DFT equations in the Cartesian deformed harmonic-oscillator basis. (IX) HFODD (v3.06h): a new version of the program

We describe the new version (v3.06h) of the code HFODD that solves the universal nonrelativistic nuclear DFT Hartree-Fock or Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we implemented the following new features: (i) zero-range three- and four-body central terms, (ii) zero-range three-body gradient terms, (iii) zero-range tensor terms, (iv) zero-range isospin-breaking terms, (v) finite-range higher-order regularized terms, (vi) finite-range separable terms, (vii) zero-range two-body pairing terms, (viii) multi-quasiparticle blocking, (ix) Pfaffian overlaps, (x) particle-number and parity symmetry restoration, (xi) axialization, (xii) Wigner functions, (xiii) choice of the harmonic-oscillator basis, (xiv) fixed Omega partitions, (xv) consistency formula between energy and fields, and we corrected several errors of the previous versions.

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arXiv2020

Properties of spherical and deformed nuclei using regularized pseudopotentials in nuclear DFT

We developed new parameterizations of local regularized finite-range pseudopotentials up to next-to-next-to-next-to-leading order (N3LO), used as generators of nuclear density functionals. When supplemented with zero-range spin-orbit and density-dependent terms, they provide a correct single-reference description of binding energies and radii of spherical and deformed nuclei. We compared the obtained results to experimental data and discussed benchmarks against the standard well-established Gogny D1S functional.

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arXiv2020

Finite-range separable pairing interaction in Cartesian coordinates

Within a simple SO(8) algebraic model, the coexistence between isoscalar and isovector pairing modes can be successfully described using a mean-field method plus restoration of broken symmetries. In order to port this methodology to real nuclei, we need to employ realistic density functionals in the pairing channel. In this article, we present an analytical derivation of matrix elements of a separable pairing interaction in Cartesian coordinates and we correct errors of derivations available in the literature. After implementing this interaction in the code hfodd, we study evolution of pairing gaps in the chain of deformed Erbium isotopes, and we compare the results with a standard density-dependent contact pairing interaction.

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arXiv2020

Model nuclear energy density functionals derived from ab initio calculations

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.

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arXiv2019

Density functional theory for nuclear fission -- a proposal

The fission process is a fascinating phenomenon in which the atomic nucleus, a compact self-bound mesoscopic system, undergoes a spontaneous or induced quantum transition into two or more fragments. A predictive, accurate and precise description of nuclear fission, rooted in a fundamental quantum many-body theory, is one of the biggest challenges in science. Current approaches assume adiabatic motion of the system with internal degrees of freedom at thermal equilibrium. With parameters adjusted to data, such modelling works well in describing fission lifetimes, fragment mass distributions, or their total kinetic energies. However, are the assumptions valid? For the fission occurring at higher energies and/or shorter times, the process is bound to be non-adiabatic and/or non-thermal. The vision of this project is to go beyond these approximations, and to obtain a unified description of nuclear fission at varying excitation energies. The key elements of this project are the use of nuclear density functional theory with novel, nonlocal density functionals and innovative high-performance computing techniques. Altogether, the project aims at better understanding of nuclear fission, where slow, collective, and semi-classical effects are intertwined with fast, microscopic, quantum evolution.

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arXiv2019

Regularized pseudopotential for mean-field calculations

We present preliminary results obtained with a finite-range two-body pseudopotential complemented with zero-range spin-orbit and density-dependent terms. After discussing the penalty function used to adjust parameters, we discuss predictions for binding energies of spherical nuclei calculated at the mean-field level, and we compare them with those obtained using the standard Gogny D1S finite-range effective interaction.

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arXiv2019

Symmetry restoration in the mean-field description of proton-neutron pairing

We show that the symmetry-restored paired mean-field states (quasiparticle vacua) properly account for isoscalar versus isovector nuclear pairing properties. Full particle-number, spin, and isospin symmetries are restored in a simple SO(8) proton-neutron pairing model, and prospects to implement a similar approach in a realistic setting are delineated. Our results show that, provided all symmetries are restored, the pictures based on pair-condensate and quartet-condensate wave functions represent equivalent ways of looking at the physics of nuclear proton-neutron pairing.

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arXiv2019

Shape staggering of mid-shell mercury isotopes from in-source laser spectroscopy compared with Density Functional Theory and Monte Carlo Shell Model calculations

Neutron-deficient $^{177-185}$Hg isotopes were studied using in-source laser resonance-ionization spectroscopy at the CERN-ISOLDE radioactive ion-beam facility, in an experiment combining different detection methods tailored to the studied isotopes. These include either alpha-decay tagging or Multi-reflection Time-of-Flight gating to identify the isotopes of interest. The endpoint of the odd-even nuclear shape staggering in mercury was observed directly by measuring for the first time the isotope shifts and hyperfine structures of $^{177-180}$Hg. Changes in the mean-square charge radii for all mentioned isotopes, magnetic dipole and electric quadrupole moments of the odd-A isotopes and arguments in favor of $I = 7/2$ spin assignment for $^{177,179}$Hg were deduced. Experimental results are compared with Density Functional Theory (DFT) and Monte-Carlo Shell Model (MCSM) calculations. DFT calculations with several Skyrme parameterizations predict a large jump in the charge radius around the neutron $N = 104$ mid shell, with an odd-even staggering pattern related to the coexistence of nearly-degenerate oblate and prolate minima. This near-degeneracy is highly sensitive to many aspects of the effective interaction, a fact that renders perfect agreement with experiment out of reach for current functionals. Despite this inherent diffculty, the SLy5s1 and a modified UNEDF1^{SO} parameterization predict a qualitatively correct staggering that is off by two neutron numbers. MCSM calculations of states with the experimental spins and parities show good agreement for both electromagnetic moments and the observed charge radii. A clear mechanism for the origin of shape staggering within this context is identified: a substantial change in occupancy of the proton $πh_{9/2}$ and neutron $νi_{13/2}$ orbitals.

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arXiv2019

Isobaric Multiplet Mass Equation within nuclear Density Functional Theory

We extend the nuclear Density Functional Theory (DFT) by including proton-neutron mixing and contact isospin-symmetry-breaking (ISB) terms up to next-to-leading order (NLO). Within this formalism, we perform systematic study of the nuclear mirror and triple displacement energies, or equivalently of the Isobaric Multiplet Mass Equation (IMME) coefficients. By comparing results with those obtained within the existing Green Function Monte Carlo (GFMC) calculations, we address the fundamental question of the physical origin of the ISB effects. This we achieve by analyzing separate contributions to IMME coefficients coming from the electromagnetic and nuclear ISB terms. We show that the ISB DFT and GFMC results agree reasonably well, and that they describe experimental data with a comparable quality. Since the separate electromagnetic and nuclear ISB contributions also agree, we conclude that the beyond-mean-field electromagnetic effects may not play a dominant role in describing the ISB effects in finite nuclei.

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arXiv2018

Towards a novel energy density functional for beyond-mean-field calculations with pairing and deformation

We take an additional step towards the optimization of the novel finite-range pseudopotential at constrained Hartree-Fock-Bogolyubov level and implement an optimization procedure within an axial code using harmonic oscillator basis. We perform the optimization using three different numbers of the harmonic oscillator shells. We apply the new parameterizations in the O-Kr part of the nuclear chart and isotopic chain of Sn, and we compare the results with experimental values and those given by a parameterization obtained using a spherical code.

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arXiv2017

Neutron-proton pairing correlations in a single $l-$shell model

The long standing problem of neutron-proton pairing correlations is revisited by employing the Hartree-Fock-Bogoliubov formalism with neutron-proton mixing in both the particle-hole and particle-hole channels. We compare numerical calculations performed within this method with an exact pairing model based on the $SO(8)$ algebra. The neutron-proton mixing is included in our calculations by performing rotations in the isospin space using the isocranking technique.

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arXiv2017

Nonlocal energy density functionals for pairing and beyond-mean-field calculations

We propose to use two-body regularized finite-range pseudopotential to generate nuclear energy density functional (EDF) in both particle-hole and particle-particle channels, which makes it free from self-interaction and self-pairing, and also free from singularities when used beyond mean field. We derive a sequence of pseudopotentials regularized up to next-to-leading order (NLO) and next-to-next-to-leading order (N2LO), which fairly well describe infinite-nuclear-matter properties and finite open-shell paired and/or deformed nuclei. Since pure two-body pseudopotentials cannot generate sufficiently large effective mass, the obtained solutions constitute a preliminary step towards future implementations, which will include, e.g., EDF terms generated by three-body pseudopotentials.

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arXiv2017

Binding energies and pairing gaps in semi-magic nuclei obtained using new regularized higher-order EDF generators

We present results of the Hartree-Fock-Bogolyubov calculations performed using nuclear energy density functionals based on regularized functional generators at next-to-leading and next-to-next-to-leading order. We discuss properties of binding energies and pairing gaps determined in semi-magic spherical nuclei. The results are compared with benchmark calculations performed for the functional generator SLyMR0 and functional UNEDF0.

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arXiv2016

Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VIII) hfodd (v2.73y): a new version of the program

We describe the new version (v2.73y) 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 the following new features: (i) full proton-neutron mixing in the particle-hole channel for Skyrme functionals, (ii) the Gogny force in both particle-hole and particle-particle channels, (iii) linear multi-constraint method at finite temperature, (iv) fission toolkit including the constraint on the number of particles in the neck between two fragments, calculation of the interaction energy between fragments, and calculation of the nuclear and Coulomb energy of each fragment, (v) the new version 200d of the code HFBTHO, together with an enhanced interface between HFBTHO and HFODD, (vi) parallel capabilities, significantly extended by adding several restart options for large-scale jobs, (vii) the Lipkin translational energy correction method with pairing, (viii) higher-order Lipkin particle-number corrections, (ix) interface to a program plotting single-particle energies or Routhians, (x) strong-force isospin-symmetry-breaking terms, and (xi) the Augmented Lagrangian Method for calculations with 3D constraints on angular momentum and isospin. Finally, an important bug related to the calculation of the entropy at finite temperature and several other little significant errors of the previous published version were corrected.

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arXiv2016

No-core configuration-interaction model for the isospin- and angular-momentum-projected states

[Background] Single-reference density functional theory is very successful in reproducing bulk nuclear properties like binding energies, radii, or quadrupole moments throughout the entire periodic table. Its extension to the multi-reference level allows for restoring symmetries and, in turn, for calculating transition rates. [Purpose] We propose a new no-core-configuration-interaction (NCCI) model treating properly isospin and rotational symmetries. The model is applicable to any nucleus irrespective of its mass and neutron- and proton-number parity. It properly includes polarization effects caused by an interplay between the long- and short-range forces acting in the atomic nucleus. [Methods] The method is based on solving the Hill-Wheeler-Griffin equation within a model space built of linearly-dependent states having good angular momentum and properly treated isobaric spin. The states are generated by means of the isospin and angular-momentum projection applied to a set of low-lying (multi)particle-(multi)hole deformed Slater determinants calculated using the self-consistent Skyrme-Hartree-Fock approach. [Results] The theory is applied to calculate energy spectra in N~Z nuclei that are relevant from the point of view of a study of superallowed Fermi beta-decays. In particular, a new set of the isospin-symmetry-breaking corrections to these decays is given. [Conclusions] It is demonstrated that the NCCI model is capable to capture main features of low-lying energy spectra in light and medium-mass nuclei using relatively small model space and without any local readjustment of its low-energy coupling constants. Its flexibility and a range of applicability makes it an interesting alternative to the conventional nuclear shell model.

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arXiv2015

Approximate restoration of translational and rotational symmetries within the Lipkin method

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 terms in momenta or angular momenta with self-consistently determined values of the Peierls-Yoccoz translational masses or moments of inertia, respectively. Calculations based on Skyrme energy-density functional are performed for heavy, deformed, and paired nuclei. Results: In deformed nuclei, the Peierls-Yoccoz translational masses along three different principal-axes directions of the intrinsic system can be different, which illustrates different widths of the total-momentum distributions. Numerically, the differences are only of the order of a few per cent. For the rotational-symmetry restoration, the Lipkin method compares favorably with the exact angular-momentum projection, which requires much larger computational effort. Conclusions: The Lipkin method of translational and rotational symmetry restoration is a practical low-cost method of determining the corresponding correlation energies. It allows for a simultaneous restoration of several symmetries and can be relatively easily implemented in the standard self-consistent mean-field calculations, including those required for the parameter adjustments.

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arXiv2015

Properties of nuclei in the nobelium region studied within the covariant, Skyrme, and Gogny energy density functionals

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 systematic uncertainties related to using the EDF modelling

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