Lipkin translational-symmetry restoration in the mean-field and energy-density-functional methods

Based on the 1960 idea of Lipkin, the minimization of energy of a symmetry-restored mean-field state is equivalent to the minimization of a corrected energy of a symmetry-broken state with the Peierls-Yoccoz mass. It is interesting to note that the "unphysical" Peierls-Yoccoz mass, and not the true mass, appears in the Lipkin projected energy. The Peierls-Yoccoz mass can be easily calculated from the energy and overlap kernels, which allows for a systematic, albeit approximate, restoration of translational symmetry within the energy-density formalism. Analogous methods can also be implemented for all other broken symmetries.Comment: 15 LaTeX pages, 8 eps figures, submitted to Journal of Physics

Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): a new version of the program

We describe the new version (v2.49t) of the code HFODD which solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following physics features: (i) the isospin mixing and projection, (ii) the finite temperature formalism for the HFB and HF+BCS methods, (iii) the Lipkin translational energy correction method, (iv) the calculation of the shell correction. A number of specific numerical methods have also been implemented in order to deal with large-scale multi-constraint calculations and hardware limitations: (i) the two-basis method for the HFB method, (ii) the Augmented Lagrangian Method (ALM) for multi-constraint calculations, (iii) the linear constraint method based on the approximation of the RPA matrix for multi-constraint calculations, (iv) an interface with the axial and parity-conserving Skyrme-HFB code HFBTHO, (v) the mixing of the HF or HFB matrix elements instead of the HF fields. Special care has been paid to using the code on massively parallel leadership class computers. For this purpose, the following features are now available with this version: (i) the Message Passing Interface (MPI) framework, (ii) scalable input data routines, (iii) multi-threading via OpenMP pragmas, (iv) parallel diagonalization of the HFB matrix in the simplex breaking case using the ScaLAPACK library. Finally, several little significant errors of the previous published version were corrected.Comment: Accepted for publication to Computer Physics Communications. Program files re-submitted to Comp. Phys. Comm. Program Library after correction of several minor bug

An HFB scheme in natural orbitals

We present a formulation of the Hartree-Fock-Bogoliubov (HFB) equations which solves the problem directly in the basis of natural orbitals. This provides a very efficient scheme which is particularly suited for large scale calculations on coordinate-space grids.Comment: 5 pages RevTeX, (Postscript-file also available at http://www.th.physik.uni-frankfurt.de/~bender/nucl_struct_publications.html or at ftp://th.physik.uni-frankfurt.de/pub/bender ), accepted for publication in Z. Phys.

Skyrme-HFB deformed nuclear mass table

The Skyrme-Hartree-Fock-Bogoliubov code HFBTHO using the axial (2D) Transformed Harmonic Oscillator basis is tested against the HFODD (3D Cartesian HO basis) and HFBRAD (radial coordinate) codes. Results of large-scale ground-state calculations are presented for the SLy4 and SkP interactions.Comment: 6 LaTeX pages, 3 figures, uses aipproc, presented at International Conference NUCLEAR PHYSICS, LARGE and SMALL, Hotel Hacienda Cocoyoc, April 19-22, 2004, to be published in AIP Proceedings, see also http://www.fuw.edu.pl/~dobaczew/thodri/thodri.htm

Nuclear ground-state properties from mean-field calculations

The volume and surface effects in the nuclear local energy density and the volume and surface components of the pairing interaction are discussed in the context of the mean-field, Hartree-Fock-Bogoliubov description of atomic nuclei. Predictions of properties of exotic nuclei close to the particle drip lines are presented.Comment: Presented at the 3rd International Conference on Exotic Nuclei and Atomic Masses, Hameenlinna, Finland, July 2-7, 2001, to be published in European Physical Journa

Pairing anti-halo effect

We discuss pairing correlations in weakly bound neutron rich nuclei, by using the coordinate-space Hartree-Fock-Bogolyubov approach which allows to take properly into account the coupling to particle continuum. We show that the additional pairing binding energy acts against a development of an infinite rms radius, even in situations when an l=0 single-particle orbital becomes unbound.Comment: 10 RevTeX pages, 3 EPS figure

Variation after Particle-Number Projection for the HFB Method with the Skyrme Energy Density Functional

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.Comment: 11 pages, 6 figure