Configuration mixing within the energy density functional formalism: pathologies and cures

Configuration mixing calculations performed in terms of the Skyrme/Gogny Energy Density Functional (EDF) rely on extending the Single-Reference energy functional into non-diagonal EDF kernels. The standard way to do so, based on an analogy with the pure Hamiltonian case and the use of the generalized Wick theorem, is responsible for the recently observed divergences and steps in Multi-Reference calculations. We summarize here the minimal solution to this problem recently proposed [Lacroix et al, arXiv:0809.2041] and applied with success to particle number restoration[Bender et al, arXiv:0809.2045]. Such a regularization method provides suitable corrections of pathologies for EDF depending on integer powers of the density. The specific case of fractional powers of the density[Duguet et al, arXiv:0809.2049] is also discussed.Comment: 5 pages, Proceedings of the French-Japanese Symposium, September 2008. To be published in Int. J. of Mod. Phys.

Do halos exist on the dripline of deformed nuclei?

A study of the effect of deformation and pairing on the development of halo nuclei is presented. Exploratory three-body $core+n+n$ calculations show that both the NN interaction and the deformation/excitation of the core hinder the formation of the halo. Preliminary self-consistent mean-field calculations are used to search for regions in the nuclear chart where halos could potentially develop. These are also briefly discussed.Comment: 5 pages and 3 figures, proceedings for CGS1

Skyrme functional from a three-body pseudo-potential of second-order in gradients. Formalism for central terms

In one way or the other, all modern parametrizations of the nuclear energy density functional (EDF) do not respect the exchange symmetry associated with Pauli's principle. It has been recently shown that this practice jeopardizes multi-reference (MR) EDF calculations by contaminating the energy with spurious self-interactions that, for example, lead to finite steps or even divergences when plotting it as a function of collective coordinates. As of today, the only viable option to bypass these pathologies is to rely on EDF kernels that enforce Pauli's principle from the outset by strictly and exactly deriving from a genuine, i.e. density-independent, Hamilton operator. We wish to develop the most general Skyrme-like EDF parametrization containing linear, bilinear and trilinear terms in the density matrices with up to two gradients, under the key constraint that it derives strictly from an effective Hamilton operator. The most general three-body Skyrme-like pseudo-potential containing up to two gradient operators is constructed to generate the trilinear part. The present study is limited to central terms. Spin-orbit and tensor will be addressed in a forthcoming paper. (See paper for full abstract)Comment: 38 pages revtex, no figur

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.Comment: Proceedings of the XIII Nuclear Physics Workshop ``Maria and Pierre Curie'' on ``Pairing and beyond - 50 years of the BCS model'', held at Kazimierz Dolny, Poland, September 27 - October 1, 2006. Int. J. Mod. Phys. E, in prin

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.Comment: 17 pages, 12 figures, accepted for publication in PR

Quasiparticle Coupled Cluster Theory for Pairing Interactions

We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed BCS-based p-CCD method yields significantly better energies than existing methods when compared to exact results obtained via solution of the Richardson equations. The quasiparticle p-CCD method has a low computational cost of $\mathcal{O}(N^3)$ as a function of system size. This together with the high quality of results here demonstrated, points to considerable promise for the accurate description of strongly correlated systems with more realistic pairing interactions

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.Comment: 38 pages, 36 figures; Minor correction

Shape Coexistence in Pb186: Beyond-mean-field description by configuration mixing of symmetry restored wave functions

We study shape coexistence in Pb186 using configuration mixing of angular-momentum and particle-number projected self-consistent mean-field states. The same Skyrme interaction SLy6 is used everywhere in connection with a density-dependent zero-range pairing force. The model predicts coexisting spherical, prolate and oblate 0+ states at low energy.Comment: 5 pages REVTEX4, 4 eps figures, accepted by Phys. Lett. B. Revised version with some polishing of the text without changing its conten

Functional approach for pairing in finite systems: How to define restoration of broken symmetries in Energy Density Functional theory ?

The Multi-Reference Energy Density Functional (MR-EDF) approach (also called configuration mixing or Generator Coordinate Method), that is commonly used to treat pairing in finite nuclei and project onto particle number, is re-analyzed. It is shown that, under certain conditions, the MR-EDF energy can be interpreted as a functional of the one-body density matrix of the projected state with good particle number. Based on this observation, we propose a new approach, called Symmetry-Conserving EDF (SC-EDF), where the breaking and restoration of symmetry are accounted for simultaneously. We show, that such an approach is free from pathologies recently observed in MR-EDF and can be used with a large flexibility on the density dependence of the functional.Comment: proceeding of the conference "Many body correlations from dilute to dense Nuclear systems", Paris, February 201

New analysis method of the halo phenomenon in finite many-fermion systems. First applications to medium-mass atomic nuclei

A new analysis method to investigate halos in finite many-fermion systems is designed, as existing characterization methods are proven to be incomplete/inaccurate. A decomposition of the internal wave-function of the {$N$-body} system in terms of overlap functions allows a model-independent analysis of medium-range and asymptotic properties of the internal one-body density. The existence of a spatially decorrelated region in the density profile is related to the existence of three typical energy scales in the excitation spectrum of the {$(N-1)$-body} system. A series of model-independent measures, taking the internal density as the only input, are introduced. The new measures allow a quantification of the potential halo in terms of the average number of fermions participating to it and of its impact on the system extension. Those new "halo factors" are validated through simulations and applied to results obtained through energy density functional calculations of medium-mass nuclei. Performing spherical Hartree-Fock-Bogoliubov calculations with state-of-the-art Skyrme plus pairing functionals, a collective halo is predicted in drip-line Cr isotopes, whereas no such effect is seen in Sn isotopes.Comment: 27 Pages, 29 Figures. Accepted for publication in Phys. Rev. C back-to-back with second part (arXiv:0711.1275