Markus Kortelainen

The limits of the nuclear landscape

In 2011, 100 new nuclides were discovered. They joined the approximately 3,000 stable and radioactive nuclides that either occur naturally on Earth or are synthesized in the laboratory. Every atomic nucleus, characterized by a specific number of protons and neutrons, occupies a spot on the chart of nuclides, which is bounded by ‘drip lines’ indicating the values of neutron and proton number at which nuclear binding ends. The placement of the neutron drip line for the heavier elements is based on theoretical predictions using extreme extrapolations, and so is uncertain. However, it is not known how uncertain it is or how many protons and neutrons can be bound in a nucleus. Here we estimate these limits of the nuclear ‘landscape’ and provide statistical and systematic uncertainties for our predictions. We use nuclear density functional theory, several Skyrme interactions and high-performance computing, and find that the number of bound nuclides with between 2 and 120 protons is around 7,000. We find that extrapolations for drip-line positions and selected nuclear properties, including neutron separation energies relevant to astrophysical processes, are very consistent between the models used.

Nuclear Energy Density Optimization

We carry out state-of-the-art optimization of a nuclear energy density of Skyrme type in the framework of the Hartree-Fock-Bogoliubov (HFB) theory. The particle-hole and particle-particle channels are optimized simultaneously, and the experimental data set includes both spherical and deformed nuclei. The new model-based, derivative-free optimization algorithm used in this work ��

Nuclear energy density optimization: Large deformations

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 ^{240}Pu and neighboring nuclei.

Nuclear matrix elements of 0νββ decay with improved short-range correlations

Nuclear matrix elements of the neutrinoless double beta decays of 96Zr, 100Mo, 116Cd, 128Te, 130Te and 136Xe are calculated for the light-neutrino exchange mechanism by using the proton-neutron quasiparticle random-phase approximation (pnQRPA) with a realistic nucleon-nucleon force. The g_pp parameter of the pnQRPA is fixed by the data on the two-neutrino double beta decays and single beta decays. The finite size of a nucleon, the higher-order terms of nucleonic weak currents, and the nucleon-nucleon short-range correlations (s.r.c) are taken into account. The s.r.c. are computed by the traditional Jastrow method and by the more advanced unitary correlation operator method (UCOM). Comparison of the results obtained by the two methods is carried out. The UCOM computed matrix elements turn out to be considerably larger than the Jastrow computed ones. This result is important for the assessment of the neutrino-mass sensitivity of the present and future double beta experiments.

Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis (III) HFBTHO (v3.00): a new version of the program.

We describe the new version 2.00d of the code hfbtho that solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB)problem by using the cylindrical transformed deformed harmonic oscillator basis. In the new version, we have implemented the following features: (i) the modified Broyden method for non-linear problems, (ii) optional breaking of reflection symmetry, (iii) calculation of axial multipole moments, (iv) finite temperature formalism for the HFB method, (v) linear constraint method based on the approximation of the Random Phase Approximation (RPA) matrix for multi-constraint calculations, (vi) blocking of quasi-particles in the Equal Filling Approximation (EFA), (vii) framework for generalized energy density with arbitrary density-dependences, and (viii) shared memory parallelism via OpenMP pragmas.

Short-range correlations and neutrinoless double beta decay

Abstract In this work we report on the effects of short-range correlations upon the matrix elements of neutrinoless double beta decay ( 0 ν β β ). We focus on the calculation of the matrix elements of the neutrino-mass mode of 0 ν β β decays of 48 Ca and 76 Ge. The nuclear-structure components of the calculation, that is the participant nuclear wave functions, have been calculated in the shell-model scheme for 48 Ca and in the proton–neutron quasiparticle random-phase approximation (pnQRPA) scheme for 76 Ge. We compare the traditional approach of using the Jastrow correlation function with the more complete scheme of the unitary correlation operator method (UCOM). Our results indicate that the Jastrow method vastly exaggerates the effects of short-range correlations on the 0 ν β β nuclear matrix elements.

Nuclear energy density optimization: Shell structure

Background: 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. Purpose: In this work, we propose a new parametrization unedf2 of the Skyrme energy density functional. Methods: 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 parametrization 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. Results: The agreement with both bulk and spectroscopic nuclear properties achieved by the resulting unedf2 parametrization 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 parametrizations, 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. Conclusions: 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.

NUCLEAR MATRIX ELEMENTS FOR DOUBLE BETA DECAY

The neutrinoless double beta (0νββ) decay of atomic nuclei plays a key role in the search for massive Majorana neutrinos and their mass scale. To extract the necessary information from the measured data the nuclear-structure effects have to be accounted for by computation of the associated nuclear matrix elements (NMEs). In this article the NMEs for the light-neutrino exchange mechanism are discussed. They are computed by using the proton-neutron quasiparticle random-phase approximation (pnQRPA). Recent developments in this field relate to the handling of the nucleon-nucleon short-range correlations and independent experimental probes of the wave functions relevant for the NMEs.

Ordinary muon capture as a probe of virtual transitions of ββ decay

A reliable theoretical description of double-beta-decay processes needs a possibility to test the involved virtual transitions against experimental data. Unfortunately, only the lowest virtual transition can be probed by the traditional electron capture or β−-decay experiments. In this article we propose that calculated amplitudes for many virtual transitions can be probed by experiments measuring rates of ordinary muon capture (OMC) to the relevant intermediate states. The first results from such experiments are expected to appear soon. As an example, we discuss the ββ decays of 76Ge and 106Cd and the corresponding OMC for the 76Se and 106Cd nuclei in the framework of the proton-neutron QRPA with realistic interactions. It is found that the OMC observables, just like the 2νββ-decay amplitudes, strongly depend on the strength of the particle-particle part of the proton-neutron interaction.

Computational nuclear quantum many-body problem: The UNEDF project

The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. The primary focus of the project was on constructing, validating, and applying an optimized nuclear energy density functional, which entailed a wide range of pioneering developments in microscopic nuclear structure and reactions, algorithms, high-performance computing, and uncertainty quantification. UNEDF demonstrated that close associations among nuclear physicists, mathematicians, and computer scientists can lead to novel physics outcomes built on algorithmic innovations and computational developments. This review showcases a wide range of UNEDF science results to illustrate this interplay.