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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 $^{48}$Cr, with constraints on the isospin implemented by using the augmented Lagrange method.
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We study the problem of an impurity in fully polarized (spin-up) low density neutron matter with the help of an accurate quantum Monte Carlo method in conjunction with a realistic nucleon-nucleon interaction derived from chiral effective field theory at next-to-next-to-leading-order. Our calculations show that the behavior of the proton spin-down impurity is very similar to that of a polaron in a fully polarized unitary Fermi gas. We show that our results can be used to put tight constraints on the time-odd parts of the energy density functional, independent of the time-even parts, in the density regime relevant to neutron-rich nuclei and compact astrophysical objects such as neutron stars and supernovae.
Multi-reference calculations along the lines of the Generator Coordinate Method or the restoration of broken symmetries within the nuclear Energy Density Functional (EDF) framework are becoming a standard tool in nuclear structure physics. These calculations rely on the extension of a single-reference energy functional, of the Gogny or the Skyrme types, to non-diagonal energy kernels. There is no rigorous constructive framework for this extension so far. The commonly accepted way proceeds by formal analogy with the expressions obtained when applying the generalized Wick theorem to the non-diagonal matrix element of a Hamilton operator between two product states. It is pointed out that this procedure is ill-defined when extended to EDF calculations as the generalized Wick theorem is taken outside of its range of applicability. In particular, such a procedure is responsible for the appearance of spurious divergences and steps in multi-reference EDF energies, as was recently observed in calculations restoring particle number or angular momentum. In the present work, we give a formal analysis of the origin of this problem for calculations with and without pairing, i.e. constructing the density matrices from either Slater determinants or quasi-particle vacua. We propose a correction to energy kernels that removes the divergences and steps, and which is applicable to calculations based on any symmetry restoration or generator coordinate. The method is formally illustrated for particle number restoration and is specified to configuration mixing calculations based on Slater determinants.
[Background] Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has been pointed out that these techniques are ill-defined for standard Skyrme functionals, and a regularization procedure has been proposed to remove the resulting spuriosities from such calculations. This procedure imposes an integer power of the density for the density dependent terms of the functional. At present, only dated parameterizations of the Skyrme interaction fulfill this condition. [Purpose] To construct a set of parameterizations of the Skyrme energy density functional for multi-reference energy density functional calculations with regularization using the state-of-the-art fitting protocols. [Method] The parameterizations were adjusted to reproduce ground state properties of a selected set of doubly magic nuclei and properties of nuclear matter. Subsequently, these parameter sets were validated against properties of spherical and deformed nuclei. [Results] Our parameter sets successfully reproduce the experimental binding energies and charge radii for a wide range of singly-magic nuclei. Compared to the widely used SLy5 and to the SIII parameterization that has integer powers of the density, a significant improvement of the reproduction of the data is observed. Similarly, a good description of the deformation properties at $Asim 80$ was obtained. [Conclusions] We have constructed new Skyrme parameterizations with integer powers of the density and validated them against a broad set of experimental data for spherical and deformed nuclei. These parameterizations are tailor-made for regularized multi-reference energy density functional calculations and can be used to study correlations beyond the mean-field in atomic 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 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.
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