3,160 research outputs found
Neutron skin uncertainties of Skyrme energy density functionals
Background: Neutron-skin thickness is an excellent indicator of isovector
properties of atomic nuclei. As such, it correlates strongly with observables
in finite nuclei that depend on neutron-to-proton imbalance and the nuclear
symmetry energy that characterizes the equation of state of neutron-rich
matter. A rich worldwide experimental program involving studies with rare
isotopes, parity violating electron scattering, and astronomical observations
is devoted to pinning down the isovector sector of nuclear models. Purpose: We
assess the theoretical systematic and statistical uncertainties of neutron-skin
thickness and relate them to the equation of state of nuclear matter, and in
particular to nuclear symmetry energy parameters. Methods: We use the nuclear
superfluid Density Functional Theory with several Skyrme energy density
functionals and density dependent pairing. To evaluate statistical errors and
their budget, we employ the statistical covariance technique. Results: We find
that the errors on neutron skin increase with neutron excess. Statistical
errors due to uncertain coupling constants of the density functional are found
to be larger than systematic errors, the latter not exceeding 0.06 fm in most
neutron-rich nuclei across the nuclear landscape. The single major source of
uncertainty is the poorly determined slope L of the symmetry energy that
parametrizes its density dependence. Conclusions: To provide essential
constraints on the symmetry energy of the nuclear energy density functional,
next-generation measurements of neutron skins are required to deliver precision
better than 0.06 fm.Comment: 5 pages, 4 figure
Microscopically-based energy density functionals for nuclei using the density matrix expansion: Implementation and pre-optimization
In a recent series of papers, Gebremariam, Bogner, and Duguet derived a
microscopically based nuclear energy density functional by applying the Density
Matrix Expansion (DME) to the Hartree-Fock energy obtained from chiral
effective field theory (EFT) two- and three-nucleon interactions. Due to the
structure of the chiral interactions, each coupling in the DME functional is
given as the sum of a coupling constant arising from zero-range contact
interactions and a coupling function of the density arising from the
finite-range pion exchanges. Since the contact contributions have essentially
the same structure as those entering empirical Skyrme functionals, a
microscopically guided Skyrme phenomenology has been suggested in which the
contact terms in the DME functional are released for optimization to
finite-density observables to capture short-range correlation energy
contributions from beyond Hartree-Fock. The present paper is the first attempt
to assess the ability of the newly suggested DME functional, which has a much
richer set of density dependencies than traditional Skyrme functionals, to
generate sensible and stable results for nuclear applications. The results of
the first proof-of-principle calculations are given, and numerous practical
issues related to the implementation of the new functional in existing Skyrme
codes are discussed. Using a restricted singular value decomposition (SVD)
optimization procedure, it is found that the new DME functional gives
numerically stable results and exhibits a small but systematic reduction of our
test function compared to standard Skyrme functionals, thus justifying
its suitability for future global optimizations and large-scale calculations.Comment: 17 pages, 6 figure
Nuclear energy density optimization: Shell structure
Nuclear density functional theory is the only microscopical theory that can
be applied throughout the entire nuclear landscape. Its key ingredient is the
energy density functional. In this work, we propose a new parameterization
UNEDF2 of the Skyrme energy density functional. The functional optimization is
carried out using the POUNDerS optimization algorithm within the framework of
the Skyrme Hartree-Fock-Bogoliubov theory. Compared to the previous
parameterization UNEDF1, restrictions on the tensor term of the energy density
have been lifted, yielding a very general form of the energy density functional
up to second order in derivatives of the one-body density matrix. In order to
impose constraints on all the parameters of the functional, selected data on
single-particle splittings in spherical doubly-magic nuclei have been included
into the experimental dataset. The agreement with both bulk and spectroscopic
nuclear properties achieved by the resulting UNEDF2 parameterization is
comparable with UNEDF1. While there is a small improvement on single-particle
spectra and binding energies of closed shell nuclei, the reproduction of
fission barriers and fission isomer excitation energies has degraded. As
compared to previous UNEDF parameterizations, the parameter confidence interval
for UNEDF2 is narrower. In particular, our results overlap well with those
obtained in previous systematic studies of the spin-orbit and tensor terms.
UNEDF2 can be viewed as an all-around Skyrme EDF that performs reasonably well
for both global nuclear properties and shell structure. However, after adding
new data aiming to better constrain the nuclear functional, its quality has
improved only marginally. These results suggest that the standard Skyrme energy
density has reached its limits and significant changes to the form of the
functional are needed.Comment: 18 pages, 13 figures, 12 tables; resubmitted for publication to Phys.
Rev. C after second review by refere
Computing Heavy Elements
Reliable calculations of the structure of heavy elements are crucial to
address fundamental science questions such as the origin of the elements in the
universe. Applications relevant for energy production, medicine, or national
security also rely on theoretical predictions of basic properties of atomic
nuclei. Heavy elements are best described within the nuclear density functional
theory (DFT) and its various extensions. While relatively mature, DFT has never
been implemented in its full power, as it relies on a very large number (~
10^9-10^12) of expensive calculations (~ day). The advent of leadership-class
computers, as well as dedicated large-scale collaborative efforts such as the
SciDAC 2 UNEDF project, have dramatically changed the field. This article gives
an overview of the various computational challenges related to the nuclear DFT,
as well as some of the recent achievements.Comment: Proceeding of the Invited Talk given at the SciDAC 2011 conference,
Jul. 10-15, 2011, Denver, C
Emergent Soft Monopole Modes in Weakly-Bound Deformed Nuclei
Based on the Hartree-Fock-Bogoliubov solutions in large deformed coordinate
spaces, the finite amplitude method for quasiparticle random phase
approximation (FAM-QRPA) has been implemented, providing a suitable approach to
probe collective excitations of weakly-bound nuclei embedded in the continuum.
The monopole excitation modes in Magnesium isotopes up to the neutron drip line
have been studied with the FAM-QRPA framework on both the coordinate-space and
harmonic oscillator basis methods. Enhanced soft monopole strengths and
collectivity as a result of weak-binding effects have been unambiguously
demonstrated.Comment: 5 pages, 4 figures, accepted for PRC (Rapid Comm.
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