Numeric and symbolic evaluation of the pfaffian of general skew-symmetric matrices

Evaluation of pfaffians arises in a number of physics applications, and for some of them a direct method is preferable to using the determinantal formula. We discuss two methods for the numerical evaluation of pfaffians. The first is tridiagonalization based on Householder transformations. The main advantage of this method is its numerical stability that makes unnecessary the implementation of a pivoting strategy. The second method considered is based on Aitken's block diagonalization formula. It yields to a kind of LU (similar to Cholesky's factorization) decomposition (under congruence) of arbitrary skew-symmetric matrices that is well suited both for the numeric and symbolic evaluations of the pfaffian. Fortran subroutines (FORTRAN 77 and 90) implementing both methods are given. We also provide simple implementations in Python and Mathematica for purpose of testing, or for exploratory studies of methods that make use of pfaffians.Comment: 13 pages, Download links: http://gamma.ft.uam.es/robledo/Downloads.html and http://www.phys.washington.edu/users/bertsch/computer.htm

Coulomb exchange and pairing contributions in nuclear Hartree-Fock-Bogoliubov calculations with the Gogny force

We present exact Hartree-Fock-Bogoliubov calculations with the finite range density dependent Gogny force using a triaxial basis. For the first time, all contributions to the Pairing and Fock Fields arising from the Gogny and Coulomb interactions as well as the two-body correction of the kinetic energy have been calculated in this basis. We analyze the relevance of these terms in different regions of the periodic table at zero and high angular momentum. The validity of commonly used approximations that neglect different terms in the variational equations is also checked. We find a decrease of the proton pairing energies mainly due to a Coulomb antipairing effect.Comment: 32 pages, 12 figures. In press in Nucl. Physics

Mean-field Based Approaches to Pairing Correlations in Atomic Nuclei

The evolution of the pairing correlations from closed shell to middle shell nuclei is analyzed with a Finite Range Density Dependent interaction in the Sn isotopes. As theoretical approaches we use the Hartree-Fock-Bogoliubov, the Lipkin-Nogami, their particle number projected counterparts and the full variation after particle number projection method. We find that whereas all approaches succeed rather well in the description of the total energy they differ significantly in the pairing correlation content of the wave functions. The description of the evolution from the weak to the strong pairing regime is also approach dependent, specially at shell closure.Comment: 14 pages, 5 figure

Charge radii and structural evolution in Sr, Zr, and Mo isotopes

The evolution of the ground-state nuclear shapes in neutron-rich Sr, Zr, and Mo isotopes, including both even-even and odd-A nuclei, is studied within a self-consistent mean-field approximation based on the D1S Gogny interaction. Neutron separation energies and charge radii are calculated and compared with available data. A correlation between a shape transition and a discontinuity in those observables is found microscopically. While in Sr and Zr isotopes the steep behavior observed in the isotopic dependence of the charge radii is a consequence of a sharp prolate-oblate transition, the smooth behavior found in Mo isotopes has its origin in an emergent region of triaxiality.Comment: 6 pages, 7 figures, to be published in Phys. Lett.

Thermal shape fluctuation effects in the description of hot nuclei

The behavior of several nuclear properties with temperature is analyzed within the framework of the Finite Temperature Hartree-Fock-Bogoliubov (FTHFB) theory with the Gogny force and large configuration spaces. Thermal shape fluctuations in the quadrupole degree of freedom, around the mean field solution, are taken into account with the Landau prescription. As representative examples the nuclei $^{164}$Er, $^{152}$Dy and $^{192}$Hg are studied. Numerical results for the superfluid to normal and deformed to spherical shape transitions are presented. We found a substantial effect of the fluctuations on the average value of several observables. In particular, we get a decrease in the critical temperature ($T_c$) for the shape transition as compared with the plain FTHFB prediction as well as a washing out of the shape transition signatures. The new values of $T_c$ are closer to the ones found in Strutinsky calculations and with the Pairing Plus Quadrupole model Hamiltonian.Comment: 17 pages, 8 Figure

Particle number projection with effective forces

The particle number projection method is formulated for density dependent forces and in particular for the finite range Gogny force. Detailed formula for the projected energy and its gradient are provided. The problems arising from the neglection of any exchange term, which may lead to divergences, are throughly discussed and the possible inaccuracies estimated. Numericala results for the projection after variation method are shown for the nucleus 164Er and for the projection before variation approach for the nuclei 48-50Cr. We also confirm the Coulomb antipairing effect found in mean field theories.Comment: 33 pages, 8 figures. Submit to Nuc. Phys.

Approximate particle number projection with density dependent forces: Superdeformed bands in the A=150 and A=190 regions

We derive the equations for approximate particle number projection based on mean field wave functions with finite range density dependent forces. As an application ground bands of even-A superdeformed nuclei in the A=150 and A=190 regions are calculated with the Gogny force. We discuss nuclear properties such as quadrupole moments, moments of inertia and quasiparticle spectra, among others, as a function of the angular momentum. We obtain a good overall description.Comment: 31 pages, 10 figures, 3 appendices. In press in Nucl. Phy

Angular momentum projected analysis of Quadrupole Collectivity in \protect(^{30,32,34}Mg\protect) and \protect(^{32,34,36,38}Si\protect) with the Gogny interaction

A microscopic angular momentum projection after variation is used to describe quadrupole collectivity in (^{30,32,34}Mg) and (^{32,34,36,38}Si). The Hartree-Fock-Bogoliubov states obtained in the quadrupole constrained mean field approach are taken as intrinsic states for the projection. Excitation energies of the first (2^{+}) states and the (B(E2,0^{+}\to 2^{+})) transition probabilities are given. A reasonable agreement with available experimental data is obtained. It is also shown that the mean field picture of those nuclei is strongly modified by the projection.Comment: 10 pages, 2 figures, to be published in Phys. Lett.

The nuclear energy density functional formalism

The present document focuses on the theoretical foundations of the nuclear energy density functional (EDF) method. As such, it does not aim at reviewing the status of the field, at covering all possible ramifications of the approach or at presenting recent achievements and applications. The objective is to provide a modern account of the nuclear EDF formalism that is at variance with traditional presentations that rely, at one point or another, on a {\it Hamiltonian-based} picture. The latter is not general enough to encompass what the nuclear EDF method represents as of today. Specifically, the traditional Hamiltonian-based picture does not allow one to grasp the difficulties associated with the fact that currently available parametrizations of the energy kernel $E[g',g]$ at play in the method do not derive from a genuine Hamilton operator, would the latter be effective. The method is formulated from the outset through the most general multi-reference, i.e. beyond mean-field, implementation such that the single-reference, i.e. "mean-field", derives as a particular case. As such, a key point of the presentation provided here is to demonstrate that the multi-reference EDF method can indeed be formulated in a {\it mathematically} meaningful fashion even if $E[g',g]$ does {\it not} derive from a genuine Hamilton operator. In particular, the restoration of symmetries can be entirely formulated without making {\it any} reference to a projected state, i.e. within a genuine EDF framework. However, and as is illustrated in the present document, a mathematically meaningful formulation does not guarantee that the formalism is sound from a {\it physical} standpoint. The price at which the latter can be enforced as well in the future is eventually alluded to.Comment: 64 pages, 8 figures, submitted to Euroschool Lecture Notes in Physics Vol.IV, Christoph Scheidenberger and Marek Pfutzner editor

Cluster Interpretation of Properties of Alternating Parity Bands in Heavy Nuclei

The properties of the states of the alternating parity bands in actinides, Ba, Ce and Nd isotopes are analyzed within a cluster model. The model is based on the assumption that cluster type shapes are produced by the collective motion of the nuclear system in the mass asymmetry coordinate. The calculated spin dependences of the parity splitting and of the electric multipole transition moments are in agreement with the experimental data.Comment: 29 pages, 10 figure