Search results for "Energy density functional"
showing 10 items of 30 documents
One-quasiparticle States in the Nuclear Energy Density Functional Theory
2009
We study one-quasiproton excitations in the rare-earth region in the framework of the nuclear Density Functional Theory in the Skyrme-Hartree-Fock-Bogoliubov variant. The blocking prescription is implemented exactly, with the time-odd mean field fully taken into account. The equal filling approximation is compared with the exact blocking procedure. We show that both procedures are strictly equivalent when the time-odd channel is neglected, and discuss how nuclear alignment properties affect the time-odd fields. The impact of time-odd fields on calculated one-quasiproton bandhead energies is found to be rather small, of the order of 100-200 keV; hence, the equal filling approximation is suff…
Energy-density-functional calculations including the proton-neutron mixing
2013
We present results of calculations based on the Skyrme energy density functional including the arbitrary mixing between protons and neutrons. In this framework, single-particle states are superpositions of proton and neutron components and the energy density functional is fully invariant with respect to three-dimensional rotations in the isospin space. The isospin of the system is controlled by means of the isocranking method, which carries over the standard cranking approach to the isospin space. We show numerical results of the isocranking calculations performed for isobaric analogue states in the A=14 and $A=40-56$ nuclei. We also present such results obtained for high-isospin states in …
Uncertainty propagation within the UNEDF models
2016
The parameters of the nuclear energy density have to be adjusted to experimental data. As a result they carry certain uncertainty which then propagates to calculated values of observables. In the present work we quantify the statistical uncertainties of binding energies, proton quadrupole moments, and proton matter radius for three UNEDF Skyrme energy density functionals by taking advantage of the knowledge of the model parameter uncertainties. We find that the uncertainty of UNEDF models increases rapidly when going towards proton or neutron rich nuclei. We also investigate the impact of each model parameter on the total error budget.
Propagation of uncertainties in the nuclear DFT models
2014
Parameters of the nuclear density functional theory (DFT) models are usually adjusted to experimental data. As a result they carry certain theoretical error, which, as a consequence, carries out to the predicted quantities. In this work we address the propagation of theoretical error, within the nuclear DFT models, from the model parameters to the predicted observables. In particularly, the focus is set on the Skyrme energy density functional models.
Isospin Mixing Within the Symmetry Restored Density Functional Theory and Beyond
2013
We present results of systematic calculations of the isospin-symmetry-breaking corrections to the superallowed I=$0+,T=1 --> I=0+,T=1 beta-decays, based on the self-consistent isospin- and angular-momentum-projected nuclear density functional theory (DFT). We discuss theoretical uncertainties of the formalism related to the basis truncation, parametrization of the underlying energy density functional, and ambiguities related to determination of Slater determinants in odd-odd nuclei. A generalization of the double-projected DFT model towards a no core shell-model-like configuration-mixing approach is formulated and implemented. We also discuss new opportunities in charge-symmetry- and cha…
Mean-Field Calculation Based on Proton-Neutron Mixed Energy Density Functionals
2015
We have performed calculations based on the Skyrme energy density functional (EDF) that includes arbitrary mixing between protons and neutrons. In this framework, single-particle states are generalized as mixtures of proton and neutron components. The model assumes that the Skyrme EDF is invariant under the rotation in isospin space and the Coulomb force is the only source of the isospin symmetry breaking. To control the isospin of the system, we employ the isocranking method, which is analogous to the standard cranking approach used for describing high-spin states. Here, we present results of the isocranking calculations performed for the isobaric analog states in A = 40 and A = 54 nuclei.
Fayans functional for deformed nuclei. Uranium region
2016
Fayans energy density functional (EDF) FaNDF^0 has been applied to the nuclei around uranium region. Ground state characteristics of the Th, U and Pu isotopic chains, up to the two-neutron drip line, are found and compared with predictions from several Skyrme EDFs. The two-neutron drip line is found for FaNDF^0, SLy4 and SkM^* EDFs for a set of elements with even proton number, from Pb up to Fm.
Dependence of single-particle energies on coupling constants of the nuclear energy density functional
2008
We show that single-particle energies in doubly magic nuclei depend almost linearly on the coupling constants of the nuclear energy density functional. Therefore, they can be very well characterized by the linear regression coefficients, which we calculate for the coupling constants of the standard Skyrme functional. We then use these regression coefficients to refit the coupling constants to experimental values of single-particle energies. We show that the obtained rms deviations from experimental data are still quite large, of the order of 1.1 MeV. This suggests that the current standard form of the Skyrme functional cannot ensure spectroscopic-quality description of single-particle energ…
Constraining the surface properties of effective Skyrme interactions
2016
The purpose of this study is threefold: first, to identify a scheme for the determination of the surface energy coefficient a_surf that offers the best compromise between robustness, precision, and numerical efficiency; second, to analyze the correlation between values for a_surf and the characteristic energies of the fission barrier of Pu240; and third, to lay out a procedure how the deformation properties of the Skyrme energy density functional (EDF) can be constrained during the parameter fit. There are several frequently used possibilities to define and calculate the surface energy coefficient a_surf of effective interactions. The most direct access is provided by the model system of se…
Higher-order energy density functionals in nuclear self-consistent theory
2011
In this thesis consisting of two publications and an overview part, a study of two aspects of energy density functionals has been performed. Firstly, we have linked the next-to-next-to-next-to-leading order nuclear energy density functional to a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, the quasi-local nuclear Energy Density Functional (EDF) has been calculated as the average energy obtained from the pseudopotential. The direct reference of the EDF to the pseudopotential acts as a constraint that allows for expressing the isovector coupling constants functional in terms of the isoscalar ones, or vice …