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Register a new userNuclear Energy Density Optimization: UNEDF2
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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.
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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.
The explicit density (rho) dependence in the coupling coefficients of the non-relativistic nuclear energy-density functional (EDF) encodes effects of three-nucleon forces and dynamical correlations. The necessity for a coupling coefficient in the form of a small fractional power of rho is empirical and the power often chosen arbitrarily. Consequently, precision-oriented parameterisations risk overfitting and loss of predictive power. Observing that the Fermi momentum kF~rho^1/3 is a key variable in Fermi systems, we examine if a power hierarchy in kF can be inferred from the properties of homogeneous matter in a domain of densities which is relevant for nuclear structure and neutron stars. For later applications we want to determine an EDF that is of good quality but not overtrained. We fit polynomial and other functions of rho^1/3 to existing microscopic calculations of the energy of symmetric and pure neutron matter and analyze the fits. We select a form and parameter set which we found robust and examine the parameters naturalness and the resulting extrapolations. A statistical analysis confirms that low-order terms like rho^1/3 and rho^2/3 are the most relevant ones. It also hints at a different power hierarchy for symmetric vs. pure neutron matter, supporting the need for more than one rho^a terms in non-relativistic EDFs. The EDF we propose accommodates adopted properties of nuclear matter near saturation. Importantly, its extrapolation to dilute or asymmetric matter reproduces a range of existing microscopic results, to which it has not been fitted. It also predicts neutron-star properties consistent with observations. The coefficients display naturalness. Once determined for homogeneous matter, EDFs of the present form can be mapped onto Skyrme-type ones for use in nuclei. The statistical analysis can be extended to higher orders and for different ab initio calculations.
We present a minimal nuclear energy density functional (NEDF) called SeaLL1 that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by 7 significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation 1.46 MeV, two-neutron and two-proton separation energies with r.m.s. errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error $epsilon_r=$0.022 fm and a standard deviation $sigma_r=$0.025 fm. SeaLL1 incorporates constraints on the EoS of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN) interactions at N3LO level and three-body (NNN) interactions at the N2LO level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties, but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.
The density functional theory (DFT) is based on the existence and uniqueness of a universal functional $E[rho]$, which determines the dependence of the total energy on single-particle density distributions. However, DFT says nothing about the form of the functional. Our strategy is to first look at what we know, from independent considerations, about the analytical density dependence of the energy of nuclear matter and then, for practical applications, to obtain an appropriate density-dependent effective interaction by reverse engineering. In a previous work on homogeneous matter, we identified the most essential terms to include in our KIDS functional, named after the early-stage participating institutes. We now present first results for finite nuclei, namely the energies and radii of $^{16,28}$O, $^{40,60}$Ca.
We introduce a finite-range pseudopotential built as an expansion in derivatives up to next-to-next-to-next-to-leading order (N$^3$LO) and we calculate the corresponding nonlocal energy density functional (EDF). The coupling constants of the nonlocal EDF, for both finite nuclei and infinite nuclear matter, are expressed through the parameters of the pseudopotential. All central, spin-orbit, and tensor terms of the pseudopotential are derived both in the spherical-tensor and Cartesian representation. At next-to-leading order (NLO), we also derive relations between the nonlocal EDF expressed in the spherical-tensor and Cartesian formalism. Finally, a simplified version of the finite-range pseudopotential is considered, which generates the EDF identical to that generated by a local potential.
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