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M. Bender

Publications and source records attributed to M. Bender.

At least 73 records · Page 4Linked to original sources

Symmetry restoration for odd-mass nuclei with a Skyrme energy density functional

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.

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Surface Symmetry Energy of Nuclear Energy Density Functionals

We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron- rich matter and description of fission rates for r-process nucleosynthesis.

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Regularization of Multi-Reference Energy Density Functional Calculations

We report the first application of a recently proposed regularization procedure for multi-reference energy density functionals, which removes spurious divergent or non-continuous contributions to the binding energy, to a general configuration mixing. As an example, we present a calculation that corresponds to the particle-number and angular momentum projection of axially symmetric time-reversal invariant quasiparticle vacua of different quadrupole deformation for the nucleus O18. The SIII parameterization of the Skyrme energy functional is used.

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Early onset of ground-state deformation in the neutron-deficient polonium isotopes

In-source resonant ionization laser spectroscopy of the even-$A$ polonium isotopes $^{192-210,216,218}$Po has been performed using the $6p^37s$ $^5S_2$ to $6p^37p$ $^5P_2$ ($λ=843.38$ nm) transition in the polonium atom (Po-I) at the CERN ISOLDE facility. The comparison of the measured isotope shifts in $^{200-210}$Po with a previous data set allows to test for the first time recent large-scale atomic calculations that are essential to extract the changes in the mean-square charge radius of the atomic nucleus. When going to lighter masses, a surprisingly large and early departure from sphericity is observed, which is only partly reproduced by Beyond Mean Field calculations.

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Shape coexistence at the proton drip-line: First identification of excited states in 180Pb

Excited states in the extremely neutron-deficient nucleus, 180Pb, have been identified for the first time using the JUROGAM II array in conjunction with the RITU recoil separator at the Accelerator Laboratory of the University of Jyvaskyla. This study lies at the limit of what is presently achievable with in-beam spectroscopy, with an estimated cross-section of only 10 nb for the 92Mo(90Zr,2n)180Pb reaction. A continuation of the trend observed in 182Pb and 184Pb is seen, where the prolate minimum continues to rise beyond the N=104 mid-shell with respect to the spherical ground state. Beyond mean-field calculations are in reasonable correspondence with the trends deduced from experiment.

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Density functional theory and Kohn-Sham scheme for self-bound systems

We demonstrate how the separation of the total energy of a self-bound system into a functional of the internal one-body Fermionic density and a function of an arbitrary wave vector describing the center-of-mass kinetic energy can be used to set-up an "internal" Kohn-Sham scheme.

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Tensor part of the Skyrme energy density functional. II: Deformation properties of magic and semi-magic nuclei

We study systematically the impact of the time-even tensor terms of the Skyrme energy density functional, i.e. terms bilinear in the spin-current tensor density, on deformation properties of closed shell nuclei corresponding to 20, 28, 40, 50, 82, and 126 neutron or proton shell closures. We compare results obtained with three different families of Skyrme parameterizations whose tensor terms have been adjusted on properties of spherical nuclei: (i) TIJ interactions proposed in the first paper of this series [T. Lesinski et al., Phys. Rev. C 76, 014312 (2007)] which were constructed through a complete readjustment of the rest of the functional (ii) parameterizations whose tensor terms have been added perturbatively to existing Skyrme interactions, with or without readjusting the spin-orbit coupling constant. We analyse in detail the mechanisms at play behind the impact of tensor terms on deformation properties and how studying the latter can help screen out unrealistic parameterizations. It is expected that findings of the present paper are to a large extent independent of remaining deficiencies of the central and spin-orbit interactions, and will be of great value for the construction of future, improved energy functionals.

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Configuration Mixing within the Energy Density Functional Formalism: Removing Spurious Contributions from Non-Diagonal Energy Kernels

Multi-reference calculations along the lines of the Generator Coordinate Method or the restoration of broken symmetries within the nuclear Energy Density Functional (EDF) framework are becoming a standard tool in nuclear structure physics. These calculations rely on the extension of a single-reference energy functional, of the Gogny or the Skyrme types, to non-diagonal energy kernels. There is no rigorous constructive framework for this extension so far. The commonly accepted way proceeds by formal analogy with the expressions obtained when applying the generalized Wick theorem to the non-diagonal matrix element of a Hamilton operator between two product states. It is pointed out that this procedure is ill-defined when extended to EDF calculations as the generalized Wick theorem is taken outside of its range of applicability. In particular, such a procedure is responsible for the appearance of spurious divergences and steps in multi-reference EDF energies, as was recently observed in calculations restoring particle number or angular momentum. In the present work, we give a formal analysis of the origin of this problem for calculations with and without pairing, i.e. constructing the density matrices from either Slater determinants or quasi-particle vacua. We propose a correction to energy kernels that removes the divergences and steps, and which is applicable to calculations based on any symmetry restoration or generator coordinate. The method is formally illustrated for particle number restoration and is specified to configuration mixing calculations based on Slater determinants.

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Particle-Number Restoration within the Energy Density Functional Formalism

We give a detailed analysis of the origin of spurious divergences and finite steps that have been recently identified in particle-number restoration calculations within the nuclear energy density functional framework. We isolate two distinct levels of spurious contributions to the energy. The first one is encoded in the definition of the basic energy density functional itself whereas the second one relates to the canonical procedure followed to extend the use of the energy density functional to multi-reference calculations. The first level of spuriosity relates to the long-known self-interaction problem and to the newly discussed self-pairing interaction process which might appear when describing paired systems with energy functional methods using auxiliary reference states of Bogoliubov or BCS type. A minimal correction to the second level of spuriosity to the multi-reference nuclear energy density functional proposed in [D. Lacroix, T. Duguet, M. Bender, arXiv:0809.2041] is shown to remove completely the anomalies encountered in particle-number restored calculations. In particular, it restores sum-rules over (positive) particle numbers that are to be fulfilled by the particle-number-restored formalism. The correction is found to be on the order of several hundreds of keVs up to about 1 MeV in realistic calculations, which is small compared to the total binding energy, but often accounts for a substantial percentage of the energy gain from particle-number restoration and is on the same energy scale as the excitations one addresses with multi-reference energy density functional methods.

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Particle-Number Restoration within the Energy Density Functional formalism: Nonviability of terms depending on noninteger powers of the density matrices

We discuss the origin of pathological behaviors that have been recently identified in particle-number-restoration calculations performed within the nuclear energy density functional framework. A regularization method that removes the problematic terms from the multi-reference energy density functional and which applies (i) to any symmetry restoration- and/or generator-coordinate-method-based configuration mixing calculation and (ii) to energy density functionals depending only on integer powers of the density matrices, was proposed in [D. Lacroix, T. Duguet, M. Bender, arXiv:0809.2041] and implemented for particle-number restoration calculations in [M. Bender, T. Duguet, D. Lacroix, arXiv:0809.2045]. In the present paper, we address the viability of non-integer powers of the density matrices in the nuclear energy density functional. Our discussion builds upon the analysis already carried out in [J. Dobaczewski \emph{et al.}, Phys. Rev. C \textbf{76}, 054315 (2007)]. First, we propose to reduce the pathological nature of terms depending on a non-integer power of the density matrices by regularizing the fraction that relates to the integer part of the exponent using the method proposed in [D. Lacroix, T. Duguet, M. Bender, arXiv:0809.2041]. Then, we discuss the spurious features brought about by the remaining fractional power. Finally, we conclude that non-integer powers of the density matrices are not viable and should be avoided in the first place when constructing nuclear energy density functionals that are eventually meant to be used in multi-reference calculations.

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Collectivity-induced quenching of signatures for shell closures

Mass differences are an often used as signature and measure for shell closure. Using the angular-momentum projected Generator Coordinate Method and the Skyrme interaction SLy4, we analyze the modification of mass differences due to static deformation and dynamic fluctuations around the mean-field ground state.

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Configuration mixing of angular-momentum and particle-number projected triaxial HFB states using the Skyrme energy density functional

We present a method based on mean-field states generated by triaxial quadrupole constraints which are projected on particle number and angular momentum and mixed by the generator coordinate method on the quadrupole moment. This method is equivalent to a seven-dimensional GCM calculation, mixing all five degrees of freedom of the quadrupole operator and the gauge angles for protons and neutrons. A first application to Mg24 permits to analyze in detail the effects of triaxial deformations and of K-mixing.

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The tensor part of the Skyrme energy density functional. I. Spherical nuclei

We perform a systematic study of the impact of the J^2 tensor term in the Skyrme energy functional on properties of spherical nuclei. In the Skyrme energy functional, the tensor terms originate both from zero-range central and tensor forces. We build a set of 36 parameterizations, which covers a wide range of the parameter space of the isoscalar and isovector tensor term coupling constants, with a fit protocol very similar to that of the successful SLy parameterizations. We analyze the impact of the tensor terms on a large variety of observables in spherical mean-field calculations, such as the spin-orbit splittings and single-particle spectra of doubly-magic nuclei, the evolution of spin-orbit splittings along chains of semi-magic nuclei, mass residuals of spherical nuclei, and known anomalies of charge radii. Our main conclusion is that the currently used central and spin-orbit parts of the Skyrme energy density functional are not flexible enough to allow for the presence of large tensor terms.

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Large-amplitude Qn-Qp collectivity in the neutron-rich oxygen isotope 20O

By means of HFB calculations with independent constraints on axial neutron and proton quadrupole moments Q_n and Q_p, we investigate the large amplitude isoscalar and isovector deformation properties of the neutron-rich isotope 20O. Using the particle-number and angular-momentum projected Generator Coordinate Method, we analyze the collective dynamics in the {Q_n, Q_p} plane. The parameterization SLy4 of the Skyrme interaction is used for all calculations in connection with a density-dependent zero-range pairing interaction. Our results show that already for this moderately neutron-rich nucleus the transition moments are modified when independent neutron and proton collective dynamics are allowed.

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Global study of the spectroscopic properties of the first 2+ state in even-even nuclei

We discuss the systematics of the 2+ excitation energy and the transition probability from this 2+ to the ground state for most of the even-even nuclei, from O16 up to the actinides, for which data are available. To that aim we calculate their correlated J=0 ground state and J=2 first excited state by means of the angular-momentum and particle-number projected generator coordinate method, using the axial mass quadrupole moment as the generator coordinate and self-consistent mean-field states only restricted by axial, parity, and time-reversal symmetries. The calculation, which is an extension of a previous systematic calculation of correlations in the ground state, is performed within the framework of a non-relativistic self-consistent mean-field model using the same Skyrme interaction SLy4 and a density-dependent pairing force to generate the mean-field configurations and mix them.

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Pairing correlations beyond the mean field

We discuss dynamical pairing correlations in the context of configuration mixing of projected self-consistent mean-field states, and the origin of a divergence that might appear when such calculations are done using an energy functional in the spirit of a naive generalized density functional theory.

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Shape coexistence in neutron-deficient Kr isotopes: Constraints on the single-particle spectrum of self-consistent mean-field models from collective excitations

We discuss shape coexistence in the neutron-deficient Kr72-Kr78 isotopes in the framework of configuration mixing calculations of particle-number and angular-momentum projected axial mean-field states obtained from self-consistent calculations with the Skyrme interaction SLy6 and a density-dependent pairing interaction. While our calculation reproduces qualitatively and quantitatively many of the global features of these nuclei, such as coexistence of prolate and oblate shapes, their strong mixing at low angular momentum, and the deformation of collective bands, the ordering of our calculated low-lying levels is at variance with experiment. We analyse the role of the single-particle spectrum of the underlying mean-field for the spectrum of collective excitations.

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Beyond mean-field study of excited states: Analysis within the Lipkin model

Beyond mean-field methods based on restoration of symmetries and configuration mixing by the generator coordinate method (GCM) enable to calculate on the same footing correlations in the ground state and the properties of excited states. Excitation energies are often largely overestimated, especially in nuclei close to magicity, even when transition probabilities are well-described. We analyse here the origin of this failure. The first part of the paper compares realistic projected GCM and QRPA calculations for selected Sn isotopes performed with the same effective Skyrme interaction. Although it is difficult to perform RPA and GCM calculations under exactly the same conditions, this comparison shows that the projected GCM overestimates the RPA results. In the second part of this paper, we compare GCM and RPA in the framework of the exactly solvable Lipkin-Meshkov-Glick model. We show that the discretized GCM works quite well and permits to obtain nearly exact results with a small number of discretization points. This analysis indicates also that to break more symmetries of the nuclear Hamiltonian in the construction of the GCM basis is probably the best way to improve the description of excited states by the GCM.

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