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Register a new userCovariant energy density functionals: the assessment of global performance across the nuclear landscape
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A.V.Afanasjev
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The assessment of the global performance of the state-of-the-art covariant energy density functionals and related theoretical uncertainties in the description of ground state observables has recently been performed. Based on these results, the correlations between global description of binding energies and nuclear matter properties of covariant energy density functionals have been studied in this contribution.
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The neutron and proton drip lines represent the limits of the nuclear landscape. While the proton drip line is measured experimentally up to rather high $Z$-values, the location of the neutron drip line for absolute majority of elements is based on theoretical predictions which involve extreme extrapolations. The first ever systematic investigation of the location of the proton and neutron drip lines in the covariant density functional theory has been performed by employing a set of the state-of-the-art parametrizations. Calculated theoretical uncertainties in the position of two-neutron drip line are compared with those obtained in non-relativistic DFT calculations. Shell effects drastically affect the shape of two-neutron drip line. In particular, model uncertainties in the definition of two-neutron drip line at $Zsim 54, N=126$ and $Zsim 82, N=184$ are very small due to the impact of spherical shell closures at N=126 and 184.
Coexistence of different geometric shapes at low energies presents a universal structure phenomenon that occurs over the entire chart of nuclides. Studies of the shape coexistence are important for understanding the microscopic origin of collectivity and modifications of shell structure in exotic nuclei far from stability. The aim of this work is to provide a systematic analysis of characteristic signatures of coexisting nuclear shapes in different mass regions, using a global self-consistent theoretical method based on universal energy density functionals and the quadrupole collective model. The low-energy excitation spectrum and quadrupole shape invariants of the two lowest $0^{+}$ states of even-even nuclei are obtained as solutions of a five-dimensional collective Hamiltonian (5DCH) model, with parameters determined by constrained self-consistent mean-field calculations based on the relativistic energy density functional PC-PK1, and a finite-range pairing interaction. The theoretical excitation energies of the states: $2^+_1$, $4^+_1$, $0^+_2$, $2^+_2$, $2^+_3$, as well as the $B(E2; 0^+_1to 2^+_1)$ values, are in very good agreement with the corresponding experimental values for 621 even-even nuclei. Quadrupole shape invariants have been implemented to investigate shape coexistence, and the distribution of possible shape-coexisting nuclei is consistent with results obtained in recent theoretical studies and available data. The present analysis has shown that, when based on a universal and consistent microscopic framework of nuclear density functionals, shape invariants provide distinct indicators and reliable predictions for the occurrence of low-energy coexisting shapes. This method is particularly useful for studies of shape coexistence in regions far from stability where few data are available.
Covariant density functional theory (CDFT) is a modern theoretical tool for the description of nuclear structure phenomena. The current investigation aims at the global assessment of the accuracy of the description of the ground state properties of even-even nuclei. We also estimate {it theoretical uncertainties} defined here as the spreads of predictions within four covariant energy density functionals (CEDF) in known regions of the nuclear chart and their propagation towards the neutron drip line. Large-scale axial relativistic Hartree-Bogoliubov (RHB) calculations are performed for all $Zleq 104$ even-even nuclei between the two-proton and two-neutron drip lines with four modern covariant energy density functionals such as NL3*, DD-ME2, DD-ME$delta$ and DD-PC1. The physical observables of interest include the binding energies, two-particle separation energies, charge quadrupole deformations, isovector deformations, charge radii, neutron skin thicknesses and the positions of the two-proton and two-neutron drip lines. The predictions for the two-neutron drip line are also compared in a systematic way with the ones obtained in non-relativistic models. As an example, the data set of the calculated properties of even-even nuclei obtained with DD-PC1 CEDF is provided as Supplemental Material with this article (file ddpc1.pdf).
Machine learning is employed to build an energy density functional for self-bound nuclear systems for the first time. By learning the kinetic energy as a functional of the nucleon density alone, a robust and accurate orbital-free density functional for nuclei is established. Self-consistent calculations that bypass the Kohn-Sham equations provide the ground-state densities, total energies, and root-mean-square radii with a high accuracy in comparison with the Kohn-Sham solutions. No existing orbital-free density functional theory comes close to this performance for nuclei. Therefore, it provides a new promising way for future developments of nuclear energy density functionals for the whole nuclear chart.
We address the question of how to improve the agreement between theoretical nuclear single-particle energies (SPEs) and experiment. Empirically, in doubly magic nuclei, the SPEs can be deduced from spectroscopic properties of odd nuclei that have one more, or one less neutron or proton. Theoretically, bare SPEs, before being confronted with experiment, must be corrected for the effects of the particle-vibration-coupling (PVC). In the present work, we determine the PVC corrections in a fully self-consistent way. Then, we adjust the SPEs, with PVC corrections included, to empirical data. In this way, the agreement with experiment, on average, improves; nevertheless, large discrepancies still remain. We conclude that the main source of disagreement is still in the underlying mean fields, and not in including or neglecting the PVC corrections.
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