We suggest a small set of fission observables to be used as test cases for validation of theoretical calculations. The purpose is to provide common data to facilitate the comparison of different fission theories and models. The proposed observables a
re chosen from fission barriers, spontaneous fission lifetimes, fission yield characteristics, and fission isomer excitation energies.
The parameters of the UNEDF2 nuclear energy density functional (EDF) model were obtained in an optimization to experimental data consisting of nuclear binding energies, proton radii, odd-even mass staggering data, fission-isomer excitation energies,
and single particle energies. In addition to parameter optimization, sensitivity analysis was done to obtain parameter uncertainties and correlations. The resulting UNEDF2 is an all-around EDF. However, the sensitivity analysis also demonstrated that the limits of current Skyrme-like EDFs have been reached and that novel approaches are called for.
Collective inertia is strongly influenced at the level crossing at which quantum system changes diabatically its microscopic configuration. Pairing correlations tend to make the large-amplitude nuclear collective motion more adiabatic by reducing the
effect of those configuration changes. Competition between pairing and level crossing is thus expected to have a profound impact on spontaneous fission lifetimes. To elucidate the role of nucleonic pairing on spontaneous fission, we study the dynamic fission trajectories of $^{264}$Fm and $^{240}$Pu using the state-of-the-art self-consistent framework. We employ the superfluid nuclear density functional theory with the Skyrme energy density functional SkM$^*$ and a density-dependent pairing interaction. Along with shape variables, proton and neutron pairing correlations are taken as collective coordinates. The collective inertia tensor is calculated within the nonperturbative cranking approximation. The fission paths are obtained by using the least action principle in a four-dimensional collective space of shape and pairing coordinates. Pairing correlations are enhanced along the minimum-action fission path. For the symmetric fission of $^{264}$Fm, where the effect of triaxiality on the fission barrier is large, the geometry of fission pathway in the space of shape degrees of freedom is weakly impacted by pairing. This is not the case for $^{240}$Pu where pairing fluctuations restore the axial symmetry of the dynamic fission trajectory. The minimum-action fission path is strongly impacted by nucleonic pairing. In some cases, the dynamical coupling between shape and pairing degrees of freedom can lead to a dramatic departure from the static picture. Consequently, in the dynamical description of nuclear fission, particle-particle correlations should be considered on the same footing as those associated with shape degrees of freedom.
The nuclear symmetry energy represents a response to the neutron-proton asymmetry. In this survey we discuss various aspects of symmetry energy in the framework of nuclear density functional theory, considering both non-relativistic and relativistic
self-consistent mean-field realizations side-by-side. Key observables pertaining to bulk nucleonic matter and finite nuclei are reviewed. Constraints on the symmetry energy and correlations between observables and symmetry-energy parameters, using statistical covariance analysis, are investigated. Perspectives for future work are outlined in the context of ongoing experimental efforts.
Background: The superallowed beta-decay rates provide stringent constraints on physics beyond the Standard Model of particle physics. To extract crucial information about the electroweak force, small isospin-breaking corrections to the Fermi matrix e
lement of superallowed transitions must be applied. Purpose: We perform systematic calculations of isospin-breaking corrections to superallowed beta-decays and estimate theoretical uncertainties related to the basis truncation, time-odd polarization effects related to the intrinsic symmetry of the underlying Slater determinants, and to the functional parametrization. Methods: We use the self-consistent isospin- and angular-momentum-projected nuclear density functional theory employing two density functionals derived from the density independent Skyrme interaction. Pairing correlations are ignored. Our framework can simultaneously describe various effects that impact matrix elements of the Fermi decay: symmetry breaking, configuration mixing, and long-range Coulomb polarization. Results: The isospin-breaking corrections to the I=0+,T=1 --> I=0+,T=1 pure Fermi transitions are computed for nuclei from A=10 to A=98 and, for the first time, to the Fermi branch of the I,T=1/2 --> I,T=1/2 transitions in mirror nuclei from A=11 to A=49. We carefully analyze various model assumptions impacting theoretical uncertainties of our calculations and provide theoretical error bars on our predictions. Conclusions: The overall agreement with empirical isospin-breaking corrections is very satisfactory. Using computed isospin-breaking corrections we show that the unitarity of the CKM matrix is satisfied with a precision better than 0.1%.
The demands of cutting-edge science are driving the need for larger and faster computing resources. With the rapidly growing scale of computing systems and the prospect of technologically disruptive architectures to meet these needs, scientists face
the challenge of effectively using complex computational resources to advance scientific discovery. Multidisciplinary collaborating networks of researchers with diverse scientific backgrounds are needed to address these complex challenges. The UNEDF SciDAC collaboration of nuclear theorists, applied mathematicians, and computer scientists is developing a comprehensive description of nuclei and their reactions that delivers maximum predictive power with quantified uncertainties. This paper describes UNEDF and identifies attributes that classify it as a successful computational collaboration. We illustrate significant milestones accomplished by UNEDF through integrative solutions using the most reliable theoretical approaches, most advanced algorithms, and leadership-class computational resources.
A new Skyrme-like energy density suitable for studies of strongly elongated nuclei has been determined in the framework of the Hartree-Fock-Bogoliubov theory using the recently developed model-based, derivative-free optimization algorithm POUNDerS. A
sensitivity analysis at the optimal solution has revealed the importance of states at large deformations in driving the parameterization of the functional. The good agreement with experimental data on masses and separation energies, achieved with the previous parameterization UNEDF0, is largely preserved. In addition, the new energy density UNEDF1 gives a much improved description of the fission barriers in 240Pu and neighboring nuclei.
Is there a connection between the branch point singularity at the particle emission threshold and the appearance of cluster states which reveal the structure of a corresponding reaction channel? Which nuclear states are most impacted by the coupling
to the scattering continuum? What should be the most important steps in developing the theory that will truly unify nuclear structure and nuclear reactions? The common denominator of these questions is the continuum shell-model approach to bound and unbound nuclear states, nuclear decays, and reactions.
The isospin breaking effects due to the Coulomb interaction in weakly-bound nuclei are studied using the Gamow Shell Model, a complex-energy configuration interaction approach which simultaneously takes into account many-body correlations between val
ence nucleons and continuum effects. We investigate the near-threshold behavior of one-nucleon spectroscopic factors and the structure of wave functions along an isomultiplet. Illustrative calculations are carried out for the T=1 isobaric triplet. By using a shell-model Hamiltonian consisting of an isoscalar nuclear interaction and the Coulomb term, we demonstrate that for weakly bound or unbound systems the structure of isobaric analog states varies within the isotriplet and impacts the energy dependence of spectroscopic factors. We discuss the partial dynamical isospin symmetry present in isospin-stretched systems, in spite of the Coulomb interaction that gives rise to large mirror symmetry breaking effects.
In the framework of the Density Functional Theory for superconductors, we study the restoration of the particle number symmetry by means of the projection technique. Conceptual problems are outlined and numerical difficulties are discussed. Both are
related to the fact that neither the many-body Hamiltonian nor the wave function of the system appear explicitly in the Density Functional Theory. Similar obstacles are encountered in self-consistent theories utilizing density-dependent effective interactions.
