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The spectroscopic quadrupole moment of the first excited state, $Q_{_S}(2^{+}_{1})$, at 1.634 MeV in $^{20}$Ne was determined from sensitive reorientation-effect Coulomb-excitation measurements using a heavy target and safe energies well below the Coulomb barrier. Particle-$\gamma$ coincidence measurements were collected at iThemba LABS with a digital data-acquisition system using the {\sc AFRODITE} array coupled to an annular, doubled-sided silicon detector. A precise value of $Q_{_S}(2^{+}_{1})=-0.22(2)$ eb was determined at backward angles in agreement with the only safe-energy measurement prior to this work, $Q_{_S}(2^{+}_{1})=-0.23(8)$ eb. This result adopts 1$\hbar\omega$ shell-model calculations of the nuclear dipole polarizability of the 2$^+_1$ state that contributes to the effective quadrupole interaction and determination of $Q_{_S}(2^{+}_{1})$. It disagrees, however, with the ideal rotor model for axially-symmetric nuclei by almost $3\sigma$. Larger discrepancies are computed by modern state-of-the-art calculations performed in this and prior work, including {\it ab initio} shell model with chiral effective interactions and the multi-reference relativistic energy density functional ({\sc MR-EDF}) model. The intrinsic nucleon density of the 2$^+_1$ state in $^{20}$Ne calculated with the {\sc MR-EDF} model illustrates the presence of $\alpha$ clustering, which explains the largest discrepancy with the rotor model found in the nuclear chart and motivates the explicit inclusion of $\alpha$ clustering for full convergence of $E2$ collective properties., Comment: 8 pages, 8 figures

A microscopic finite-temperature model based on time-dependent nuclear density functional theory (TDDFT), is employed to study the induced-fission process of $^{226}$Th. The saddle-to-scission dynamics of this process is explored, starting from various points on the deformation surface of Helmholtz free energy at a temperature that corresponds to the experimental excitation energy, and following self-consistent isentropic fission trajectories as they evolve toward scission. Dissipation effects and the formation of excited fragments are investigated and, in particular, the difference in the evolution of the local temperature along asymmetric and symmetric fission trajectories. The relative entropies and entanglement between fission fragments emerging at scission are analyzed., Comment: 23 pages, 5 figures. arXiv admin note: text overlap with arXiv:2209.02419

Collective nuclear excitations, like giant resonances, are sensitive to nuclear deformation, as evidenced by alterations in their excitation energies and transition strength distributions. A common theoretical framework to study these collective modes, the random-phase approximation (RPA), has to deal with large dimensions spanned by all possible particle-hole configurations satisfying certain symmetries. This work aims to establish a new theoretical framework to study the impact of deformation on spin-isospin excitations, that can provide fast and reliable solutions of the RPA equations. The nuclear ground state is determined with the axially-deformed relativistic Hartree-Bogoliubov (RHB) model based on relativistic point-coupling energy density functionals (EDFs). To study the excitations in the charge-exchange channel, an axially-deformed proton-neutron relativistic quasiparticle RPA (pnRQRPA) is developed in the linear response approach. After benchmarking the axially-deformed pnRQRPA in the spherical limit, a study of spin-isospin excitations including Fermi, Gamow-Teller (GT), and Spin-Dipole (SD) is performed for selected $pf$-shell nuclei. For GT transitions, it is demonstrated that deformation leads to considerable fragmentation of the strength function. A mechanism inducing the fragmentation is studied by decomposing the total strength to different projections of total angular momentum $K$ and constraining the nuclear shape to either spherical, prolate or oblate. A similar fragmentation is also observed for SD transitions, although somewhat moderated by the complex structure of these transitions, while the Fermi strength is almost shape-independent. The axially-deformed pnRQRPA introduced in this work opens perspectives for future studies of deformation effects on astrophysically relevant weak interaction processes, in particular beta decay and electron capture., Comment: 22 pages, 11 figures, submitted to Physical Review C

Nuclear reactions present an interesting case for studies of the time-evolution of entanglement between complex quantum systems. In this work, the time-dependent nuclear density functional theory is employed to explore entanglement in multinucleon transfer reactions. As an illustrative example, for the reaction $^{40}$Ca $+$ $^{208}$Pb at $E_{\rm lab} = 249$ MeV, in the interval of impact parameters $4.65-7.40$ fm, and the relativistic density functional PC-PK1, we compute the von Neumann entropies, entanglement between fragments, nucleon-number fluctuations, and Shannon entropy for the nucleon-number observable. A simple linear correlation is established between the entanglement and nucleon-number fluctuation of the final fragments. The entanglement between the fragments can be related to the corresponding excitation energies and angular momenta. The relationship between the von Neumann entropy and the Shannon entropy for the nucleon-number observable is analyzed, as well as the time-evolution of the entanglement (nucleon-number fluctuation). The entanglement is also calculated for a range of incident energies and it is shown how, depending on the impact parameter, the entanglement increases with the collision energy., Comment: 22 pages, 7 figures

The microscopic framework of time-dependent covariant density functional theory is applied to study multinucleon transfer reactions, with transfer probabilities calculated using the particle number projection method. It is found that similar total cross sections are obtained with two different relativistic density functionals, PC-PK1 and DD-ME2, as well as with the Skyrme functional SLy5 in a previous study, for multinucleon transfer in the reactions: $^{40}{\rm Ca}+{}^{124}{\rm Sn}$ at $E_{\rm lab} = 170$ MeV, $^{40}{\rm Ca}+{}^{208}{\rm Pb}$ at $E_{\rm lab} = 249$ MeV, and $^{58}{\rm Ni}+{}^{208}{\rm Pb}$ at $E_{\rm lab} = 328.4$ MeV. We report the first microscopic calculation of total cross sections for the reactions: $^{40}{\rm Ar}+{}^{208}{\rm Pb}$ at $E_{\rm lab} = 256$ MeV and $^{206}{\rm Pb}+{}^{118}{\rm Sn}$ at $E_{\rm lab} = 1200$ MeV. Compared to the results obtained with the GRAZING model, the cross sections predicted by the time-dependent covariant density functional theory are in much better agreement with data, and demonstrate the potential of microscopic models based on relativistic density functionals for the description of reaction dynamics., Comment: 20 pages, 5 figures

The triaxial quadrupole collective Hamiltonian, based on relativistic energy density functionals, is extended to include a pairing collective coordinate. In addition to triaxial shape vibrations and rotations, the model describes pairing vibrations and the coupling between triaxial shape and pairing degrees of freedom. The parameters of the collective Hamiltonian are determined by a covariant energy density functional, with constraints on the intrinsic triaxial shape and pairing deformations. The effect of coupling between triaxial shape and pairing degrees of freedom is analyzed in a study of low-lying spectra and transition rates of $^{128}$Xe. When compared to results obtained with the standard triaxial quadrupole collective Hamiltonian, the inclusion of dynamical pairing compresses the low-lying spectra and improves interband transitions, in better agreement with data. The effect of zero-point energy (ZPE) correction on low-lying excited spectra is also discussed., Comment: 11 pages, 8 figures, Submitted to Phys. Rev. C. arXiv admin note: text overlap with arXiv:2002.00327

The microscopic framework of time-dependent covariant density functional theory is applied to a systematic study of ternary quasifission in collisions of pairs of $^{238}$U nuclei. It is shown that the inclusion of octupole degree of freedom in the case of head-to-head collisions, extends the energy window in which ternary quasifission occurs, and greatly enhances the number of nucleons contained in a middle fragment. Dynamical pairing correlations, included here in the time-dependent BCS approximation, prevent the occurrence of ternary quasifission in head-to-head collisions, and have an effect on the location of the energy window in which a middle fragment is formed in tail-to-tail collisions. In the latter case, as well as for tail-to-side collisions, the formation of very heavy neutron-rich systems in certain energy intervals is predicted., Comment: 23 pages, 13 figures

The generalized time-dependent generator coordinate method (TD-GCM) is extended to include pairing correlations. The correlated GCM nuclear wave function is expressed in terms of time-dependent generator states and weight functions. The particle-hole channel of the effective interaction is determined by a Hamiltonian derived from an energy density functional, while pairing is treated dynamically in the standard BCS approximation with time-dependent pairing tensor and single-particle occupation probabilities. With the inclusion of pairing correlations, various time-dependent phenomena in open-shell nuclei can be described more realistically. The model is applied to the description of saddle-to-scission dynamics of induced fission. The generalized TDGCM charge yields and total kinetic energy distribution for the fission of 240Pu, are compared to those obtained using the standard time-dependent density functional theory (TD-DFT) approach, and with available data., Comment: 25 pages,9 figures. arXiv admin note: text overlap with arXiv:2304.13369

An implementation of the generalized time-dependent generator coordinated method (TD-GCM) is developed, that can be applied to the dynamics of small- and large-amplitude collective motion of atomic nuclei. Both the generator states and weight functions of the GCM correlated wave function depend on time. The initial generator states are obtained as solutions of deformation-constrained self-consistent mean-field equations, and are evolved in time by the standard mean-field equations of nuclear density functional theory (TD-DFT). The TD-DFT trajectories are used as a generally non-orthogonal and overcomplete basis in which the TD-GCM wave function is expanded. The weights, expressed in terms of a collective wave function, obey a TD-GCM (integral) equation. In this explorative paper, the generalized TD-GCM is applied to the excitation energies and spreading width of giant resonances, and to the dynamics of induced fission. The necessity of including pairing correlations in the basis of TD-DFT trajectories is demonstrated in the latter example., Comment: 30 pages,11 figures

Alpha and cluster decays are analyzed for heavy nuclei located above $^{208}$Pb on the chart of nuclides: $^{216-220}$Rn and $^{220-224}$Ra, that are also candidates for observing the $2 \alpha$ decay mode. A microscopic theoretical approach based on relativistic Energy Density Functionals (EDF), is used to compute axially-symmetric deformation energy surfaces as functions of quadrupole, octupole and hexadecupole collective coordinates. Dynamical least-action paths for specific decay modes are calculated on the corresponding potential energy surfaces. The effective collective inertia is determined using the perturbative cranking approximation, and zero-point and rotational energy corrections are included in the model. The predicted half-lives for $\alpha$-decay are within one order of magnitude of the experimental values. In the case of single $\alpha$ emission, the nuclei considered in the present study exhibit least-action paths that differ significantly up to the scission point. The differences in alpha-decay lifetimes are not only driven by Q values, but also by variances of the least-action paths prior to scission. In contrast, the $2 \alpha$ decay mode presents very similar paths from equilibrium to scission, and the differences in lifetimes are mainly driven by the corresponding Q values. The predicted $^{14}$C cluster decay half-lives are within three orders of magnitudes of the empirical values, and point to a much more complex pattern compared to the alpha-decay mode., Comment: 9 pages, 13 figures

The saddle-to-scission dynamics of the induced fission process is explored using a microscopic finite-temperature model based on time-dependent nuclear density functional theory (TDDFT), that allows to follow the evolution of local temperature along fission trajectories. Starting from a temperature that corresponds to the experimental excitation energy of the compound system, the model propagates the nucleons along isentropic paths toward scission. For the four illustrative cases of induced fission of $^{240}$Pu, $^{234}$U, $^{244}$Cm, and $^{250}$Cf, characteristic fission trajectories are considered, and the partition of the total energy into various kinetic and potential energy contributions at scission is analyzed, with special emphasis on the energy dissipated along the fission path and the prescission kinetic energy. The model is also applied to the dynamics of neck formation and rupture, characterized by the formation of few-nucleon clusters in the low-density region between the nascent fragments., Comment: 31 pages, 10 figures

The dynamics of low-energy induced fission is explored using a consistent microscopic framework that combines the time-dependent generator coordinate method (TDGCM) and time-dependent nuclear density functional theory (TDDFT). While the former presents a fully quantum mechanical approach that describes the entire fission process as an adiabatic evolution of collective degrees of freedom, the latter models the dissipative dynamics of the final stage of fission by propagating the nucleons independently toward scission and beyond. By combining the two methods, based on the same nuclear energy density functional and pairing interaction, we perform an illustrative calculation of the charge distribution of yields and total kinetic energy for induced fission of $^{240}$Pu. For the saddle-to-scission phase a set of initial points for the TDDFT evolution is selected along an iso-energy curve beyond the outer fission barrier on the deformation energy surface, and the TDGCM is used to calculate the probability that the collective wave function reaches these points at different times. Fission observables are computed with both methods and compared with available data. The relative merits of including quantum fluctuations (TDGCM) and the one-body dissipation mechanism (TDDFT) are discussed., Comment: 7 pages,6 figures

Effects of rotation and valence nucleons in molecular-like linear $\alpha$-chain nuclei are analyzed using a three-dimensional lattice cranking model based on covariant density functional theory. The structure of $^{16}$C and $^{16}$Ne is investigated as a function of rotational frequency. The valence nucleons, with respect to the 3$\alpha$ linear chain core of $^{12}$C, at low frequency occupy the $\pi$ molecular orbital. With increasing rotational frequency these nucleons transition from the $\pi$ orbital to the $\sigma$ molecular orbital, thus stabilizing the 3$\alpha$ linear chain structure. It is predicted that the valence protons in $^{16}$Ne change occupation from the $\pi$ to the $\sigma$ molecular orbital at $\hbar\omega \approx 1.3$ MeV, a lower rotational frequency compared to $\hbar\omega \approx 1.7$ MeV for the valence neutrons in $^{16}$C. The same effects of valence protons are found in $^{20}$Mg, compared to the four valence neutrons in $^{20}$O. The model is also used to examine the effect of alignment of valence nucleons on the relative positions and size of the three $\alpha$-clusters in $^{16}$C and $^{16}$Ne., Comment: 20 pages, 9 figures

In the exothermic process of fission decay, an atomic nucleus splits into two or more independent fragments. Several aspects of nuclear fission are not properly understood, in particular the formation of the neck between the nascent fragments, and the subsequent mechanism of scission into two or more independent fragments. Using an implementation of time-dependent density functional theory, based on a relativistic energy density functional and including pairing correlations, we analyze the final phase of the process of induced fission of $^{240}$Pu, and show that the time-scale of neck formation coincides with the assembly of two $\alpha$-like clusters (less than 1 zs = 10$^{-21}$ s). Because of its much larger binding energy, the dynamical synthesis of 4He in the neck predominates over other light clusters, e.g., $^3$H and $^6$He. At the instant of scission the neck ruptures exactly between the two $\alpha$-like clusters, which separate because of the Coulomb repulsion and are eventually absorbed by the two emerging fragments. The newly proposed mechanism of light charged clusters formation at scission provides a natural explanation of ternary fission., Comment: 5 pages, 4 figures, Final version for publication

The finite-temperature linear response theory based on the finite-temperature relativistic Hartree-Bogoliubov (FT-RHB) model is developed in the charge-exchange channel to study the temperature evolution of spin-isospin excitations. Calculations are performed self-consistently with relativistic point-coupling interactions DD-PC1 and DD-PCX. In the charge-exchange channel, the pairing interaction can be split into isovector ($T = 1$) and isoscalar ($T = 0$) parts. For the isovector component, the same separable form of the Gogny D1S pairing interaction is used both for the ground-state calculation as well as for the residual interaction, while the strength of the isoscalar pairing in the residual interaction is determined by comparison with experimental data on Gamow-Teller resonance (GTR) and Isobaric analog resonance (IAR) centroid energy differences in even-even tin isotopes. The temperature effects are introduced by treating Bogoliubov quasiparticles within a grand-canonical ensemble. Thus, unlike the conventional formulation of the quasiparticle random-phase approximation (QRPA) based on the Bardeen-Cooper-Schrieffer (BCS) basis, our model is formulated within the Hartree-Fock-Bogoliubov (HFB) quasiparticle basis. Implementing a relativistic point-coupling interaction and a separable pairing force allows for the reduction of complicated two-body residual interaction matrix elements, which considerably decreases the dimension of the problem in the coordinate space. The main advantage of this method is to avoid the diagonalization of a large QRPA matrix, especially at finite temperature where the size of configuration space is significantly increased. The implementation of the linear response code is used to study the temperature evolution of IAR, GTR, and spin-dipole resonance (SDR) in even-even tin isotopes in the temperature range $T = 0 - 1.5$ MeV., Comment: 20 pages, 9 figures, submitted for publication

Octupole deformations and related collective excitations are analyzed using the framework of nuclear density functional theory. Axially-symmetric quadrupole-octupole constrained self-consistent mean-field (SCMF) calculations with a choice of universal energy density functional and a pairing interaction are performed for Xe, Ba, and Ce isotopes from proton-rich to neutron-rich regions, and neutron-rich Se, Kr, and Sr isotopes, in which enhanced octupole correlations are expected to occur. Low-energy positive- and negative-parity spectra and transition strengths are computed by solving the quadrupole-octupole collective Hamiltonian, with the inertia parameters and collective potential determined by the constrained SCMF calculations. Octupole-deformed equilibrium states are found in the potential energy surfaces of the Ba and Ce isotopes with $N\approx 56$ and 88. The evolution of spectroscopic properties indicates enhanced octupole correlations in the regions corresponding to $N\approx Z\approx 56$, $Z\approx 88$ and $Z\approx 56$, and $N\approx 56$ and $Z\approx 34$. The average $\beta_{30}$ deformation parameter and its fluctuation exhibit signatures of octupole shape phase transition around $N=56$ and 88., Comment: 14 pages, 13 figures; title changed

Significant transition strength in light $\alpha$-conjugate nuclei at low energy, typically below 10 MeV, has been observed in many experiments. In this work the isoscalar low-energy response of N=Z nuclei is explored using the Finite Amplitude Method (FAM) based on the microscopic framework of nuclear energy density functionals. Depending on the multipolarity of the excitation and the equilibrium deformation of a particular isotope, the low-energy strength functions display prominent peaks that can be attributed to vibration of cluster structures: $\alpha$+$^{12}$C+$\alpha$ and $\alpha$+$^{16}$O in $^{20}$Ne, $^{12}$C+$^{12}$C in $^{24}$Mg, 4$\alpha$+$^{12}$C in $^{28}$Si, etc. Such cluster excitations are favored in light nuclei with large deformation.

Spectroscopic properties that characterize shape phase transitions in neutron-rich odd-A Zr isotopes are investigated using the framework of nuclear density functional theory and particle-core coupling. The interacting-boson Hamiltonian of the even-even core nuclei, and the single-particle energies and occupation probabilities of the unpaired neutron are completely determined by deformation constrained self-consistent mean-field calculations based on the relativistic Hartree-Bogoliubov model with a choice of a universal energy density functional and pairing interaction. The triaxial $(\beta,\gamma)$ deformation energy surfaces for even-even $^{94-102}$Zr indicates transition from triaxial or $\gamma$-soft ($^{94,96}$Zr) to prolate ($^{98}$Zr), and triaxial ($^{100,102}$Zr) shapes. The corresponding low-energy excitation spectra of the odd-A Zr isotopes are in very good agreement with recent experimental results. Consistent with the structural evolution of the neighboring even-even Zr nuclei, the state-dependent effective deformations and their fluctuations in the odd-A isotopes indicate a pronounced discontinuity around the transitional nucleus $^{99}$Zr., Comment: 15 pages, 10 figures, 4 tables

A microscopic calculation of half-lives for the recently observed $^{108}$Xe $\to$ $^{104}$Te $\to$ $^{100}$Sn $\alpha$-decay chain is performed using a self-consistent framework based on energy density functionals. The relativistic density functional DD-PC1 and a separable pairing interaction of finite range are used to compute axially-symmetric deformation energy surfaces of $^{104}$Te and $^{108}$Xe as functions of quadrupole, octupole and hexadecupole collective coordinates. Dynamic least-action paths are determined that trace the $\alpha$-particle emission from the equilibrium deformation to the point of scission. The calculated half-lives: 197 ns for $^{104}$Te and 50 $\mu$s for $^{108}$Xe, are compared to recent experimental values of the half-lives of superallowed $\alpha$-decay of $^{104}$Te: $< 18$ ns, and $^{108}$Xe: 58$^{+106}_{-23}$ $\mu$s., Comment: 4 pages, 4 figures

The quadrupole collective Hamiltonian, based on relativistic energy density functionals, is extended to include a pairing collective coordinate. In addition to quadrupole shape vibrations and rotations, the model describes pairing vibrations and the coupling between shape and pairing degrees of freedom. The parameters of the collective Hamiltonian are determined by constrained self-consistent relativistic mean-field plus Bardeen-Cooper-Schrieffer (RMF+BCS) calculations in the space of intrinsic shape and pairing deformations. The effect of coupling between shape and pairing degrees of freedom is analyzed in a study of low-energy spectra and transition rates of four axially symmetric $N=92$ rare-earth isotones. When compared to results obtained with the standard quadrupole collective Hamiltonian, the inclusion of dynamical pairing increases the moment of inertia, lowers the energies of excited $0^+$ states and reduces the E0-transition strengths, in better agreement with data., Comment: 10 pages, 13 figures, submitted to Physical Review C

[Background] Predictions of spectroscopic properties of low-lying states are critical for nuclear structure studies. Theoretical methods can be particularly involved for odd-mass nuclei because of the interplay between the unpaired nucleon and collective degrees of freedom. Only a few models have been developed for systems in which octupole collective degrees of freedom play a role. [Purpose] We aim to predict spectroscopic properties of odd-mass nuclei characterized by octupole shape deformation, employing a model that describes single-particle and collective degrees of freedom within the same microscopic framework. [Method] A microscopic core-quasiparticle coupling (CQC) model based on the covariant density functional theory is developed, which includes collective excitations of even-mass core nuclei and single-particle states of the odd nucleon, calculated using a quadrupole-octupole collective Hamiltonian combined with a constrained reflection-asymmetric relativistic Hartree-Bogoliubov model. [Results] Model predictions for low-energy excitation spectra and transition rates of odd-mass radium isotopes $^{223, 225, 227}$Ra are shown to be in good agreement with available data. [Conclusions] A microscopic CQC model based on covariant density functional theory has been developed for odd-mass nuclei characterized by both quadrupole and octupole shape deformations. Theoretical results reproduce data in odd-mass Ra isotopes and provide useful predictions for future studies of octupole correlations in nuclei and related phenomena., Comment: 14 pages, 6 figures, 5 tables

The lowest positive- and negative-parity bands of $^{20}$Ne and neutron-rich even-even Ne isotopes are investigated using a theoretical framework based on energy density functionals. Starting from a self-consistent relativistic Hartree-Bogoliubov calculation of axially-symmetric and reflection-asymmetric deformation energy surfaces, the collective symmetry-conserving states are built using projection techniques and the generator coordinate method. Overall a good agreement with the experimental excitation energies and transition rates is obtained. In particular, the model provides an accurate description of the excitation spectra and transition probabilities in $^{20}$Ne. The contribution of cluster configurations to the low-energy states is discussed, as well as the transitional character of the ground state. The analysis is extended to $^{22}$Ne and the shape-coexisting isotope $^{24}$Ne, and to the drip-line nuclei $^{32}$Ne and $^{34}$Ne. The role of valence neutrons in the formation of molecular-type bonds between clusters is discussed., Comment: 16 pages, 15 figures, 2 tables, Accepted for Publication in Physical Review C

Octupole deformation and the relevant spectroscopic properties of neutron-rich odd-mass barium isotopes are investigated in a theoretical framework based on nuclear density functional theory and the particle-core coupling scheme. The interacting-boson Hamiltonian that describes the octupole-deformed even-even core nucleus, as well as the single-particle energies and occupation probabilities of an unpaired nucleon, are completely determined by microscopic axially-symmetric $(\beta_{2},\beta_{3})$-deformation constrained self-consistent mean-field calculations for a specific choice of the energy density functional and pairing interaction. A boson-fermion interaction that involves both quadrupole and octupole degrees of freedom is introduced, and their strength parameters are determined to reproduce selected spectroscopic data for the odd-mass nuclei. The model reproduces recent experimental results both for the even-even and odd-mass Ba isotopes. In particular, for $^{145,147}$Ba our results indicate, in agreement with recent data, that octupole deformation does not determine the structure of the lowest states in the vicinity of the ground state, and only becomes relevant at higher excitation energies., Comment: 10 pages, 7 figures, 9 tables

Quadrupole and octupole deformation energy surfaces, low-energy excitation spectra and transition rates in fourteen isotopic chains: Xe, Ba, Ce, Nd, Sm, Gd, Rn, Ra, Th, U, Pu, Cm, Cf, and Fm, are systematically analyzed using a theoretical framework based on a quadrupole-octupole collective Hamiltonian (QOCH), with parameters determined by constrained reflection-asymmetric and axially-symmetric relativistic mean-field calculations. The microscopic QOCH model based on the PC-PK1 energy density functional and $\delta$-interaction pairing is shown to accurately describe the empirical trend of low-energy quadrupole and octupole collective states, and predicted spectroscopic properties are consistent with recent microscopic calculations based on both relativistic and non-relativistic energy density functionals. Low-energy negative-parity bands, average octupole deformations, and transition rates show evidence for octupole collectivity in both mass regions, for which a microscopic mechanism is discussed in terms of evolution of single-nucleon orbitals with deformation., Comment: 36 pages, 21 figures, Accepted for Publication in Physical Review C

Static and dynamic aspects of the fission process of $^{226}$Th are analyzed in a self-consistent framework based on relativistic energy density functionals. Constrained relativistic mean-field (RMF) calculations in the collective space of axially symmetric quadrupole and octupole deformations, based on the energy density functional PC-PK1 and a $\delta$-force pairing, are performed to determine the potential energy surface of the fissioning nucleus, the scission line, the single-nucleon wave functions, energies and occupation probabilities, as functions of deformation parameters. Induced fission dynamics is described using the time-dependent generator coordinate method in the Gaussian overlap approximation. A collective Schr\"odinger equation, determined entirely by the microscopic single-nucleon degrees of freedom, propagates adiabatically in time the initial wave packet built by boosting the ground-state solution of the collective Hamiltonian for $^{226}$Th. The position of the scission line and the microscopic input for the collective Hamiltonian are analyzed as functions of the strength of the pairing interaction. The effect of static pairing correlations on the pre-neutron emission charge yields and total kinetic energy of fission fragments is examined in comparison with available data, and the distribution of fission fragments is analyzed for different values of the initial excitation energy., Comment: 25 pages, 14 figures, accepted for publication in Phys. Rev. C

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 $B(E2; 0^+_1\to 2^+_1)$ 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., Comment: 13 pages, 3 figures, accepted for publication in Phys. Rev. C

Quantum phase transitions between competing equilibrium shapes of nuclei with an odd number of nucleons are explored using a microscopic framework of nuclear energy density functionals and a particle-boson core coupling model. The boson Hamiltonian for the even-even core nucleus, as well as the spherical single-particle energies and occupation probabilities of unpaired nucleons, are completely determined by a constrained self-consistent mean-field calculation for a specific choice of the energy density functional and pairing interaction. Only the strength parameters of the particle-core coupling have to be adjusted to reproduce a few empirical low-energy spectroscopic properties of the corresponding odd-mass system. The model is applied to the odd-A Ba, Xe, La and Cs isotopes with mass $A\approx 130$, for which the corresponding even-even Ba and Xe nuclei present a typical case of $\gamma$-soft nuclear potential. The theoretical results reproduce the experimental low-energy excitation spectra and electromagnetic properties, and confirm that a phase transition between nearly spherical and $\gamma$-soft nuclear shapes occurs also in the odd-A systems., Comment: 13 pages, 15 figures, 9 tables

Quantum phase transitions between competing ground-state shapes of atomic nuclei with an odd number of protons or neutrons are investigated in a microscopic framework based on nuclear energy density functional theory and the particle-plus-boson-core coupling scheme. The boson-core Hamiltonian, as well as the single-particle energies and occupation probabilities of the unpaired nucleon, are completely determined by constrained self-consistent mean-field calculations for a specific choice of the energy density functional and paring interaction, and only the strength parameters of the particle-core coupling are adjusted to reproduce selected spectroscopic properties of the odd-mass system. We apply this method to odd-A Eu and Sm isotopes with neutron number $N \approx 90$, and explore the influence of the single unpaired fermion on the occurrence of a shape phase transition. Collective wave functions of low-energy states are used to compute quantities that can be related to quantum order parameters: deformations, excitation energies, E2 transition rates and separation energies, and their evolution with the control parameter (neutron number) is analysed., Comment: 15 pages, 13 figures; Accepted for publication in Phys. Rev. C

A novel method for calculating spectroscopic properties of medium-mass and heavy atomic nuclei with an odd number of nucleons is introduced, based on the framework of nuclear energy density functional theory and the particle-core coupling scheme. The deformation energy surface of the even-even core, as well as the spherical single-particle energies and occupation probabilities of the odd particle(s), are obtained in a self-consistent mean-field calculation determined by the choice of the energy density functional and pairing interaction. This method uniquely determines the parameters of the Hamiltonian of the boson core, and only the strength of the particle-core coupling is specifically adjusted to selected data for a particular nucleus. The approach is illustrated in a systematic study of low-energy excitation spectra and transition rates of axially deformed odd-mass Eu isotopes., Comment: 8 pages, 6 figures, 2 tables

The framework of nuclear energy density functionals is applied to a study of the formation and evolution of cluster states in nuclei. The relativistic functional DD-ME2 is used in triaxial and reflection-asymmetric relativistic Hartree-Bogoliubov calculations of relatively light $N = Z$ and neutron-rich nuclei. The role of deformation and degeneracy of single-nucleon states in the formation of clusters is analysed, and interesting cluster structures are predicted in excited configurations of Be, C, O, Ne, Mg, Si, S, Ar and Ca $N = Z$ nuclei. Cluster phenomena in neutron-rich nuclei are discussed, and it is shown that in neutron-rich Be and C nuclei cluster states occur as a result of molecular bonding of $\alpha$-particles by the excess neutrons, and also that proton covalent bonding can occur in $^{10}$C.

The DIRHB package consists of three Fortran computer codes for the calculation of the ground-state properties of even-even atomic nuclei using the framework of relativistic self-consistent mean-field models. Each code corresponds to a particular choice of spatial symmetry: the DIRHBS, DIRHBZ and DIRHBT codes are used to calculate nuclei with spherical symmetry, axially symmetric quadrupole deformation, and triaxial quadrupole shapes, respectively. Reflection symmetry is assumed in all three cases. The latest relativistic nuclear energy density functionals are implemented in the codes, thus enabling efficient and accurate calculations over the entire nuclide chart., Comment: Accepted for publication in Computer Physics Communications

A systematic analysis of low-lying quadrupole and octupole collective states is presented, based on the microscopic energy density functional framework. By mapping the deformation constrained self-consistent axially symmetric mean-field energy surfaces onto the equivalent Hamiltonian of the $sdf$ interacting boson model (IBM), that is, onto the energy expectation value in the boson condensate state, the Hamiltonian parameters are determined. The study is based on the global relativistic energy density functional DD-PC1. The resulting IBM Hamiltonian is used to calculate excitation spectra and transition rates for the positive- and negative-parity collective states in four isotopic chains characteristic for two regions of octupole deformation and collectivity: Th, Ra, Sm and Ba. Consistent with the empirical trend, the microscopic calculation based on the systematics of $\beta_{2}$-$\beta_{3}$ energy maps, the resulting low-lying negative-parity bands and transition rates show evidence of a shape transition between stable octupole deformation and octupole vibrations characteristic for $\beta_{3}$-soft potentials., Comment: 18 pages, 18 figures, 1 table

The $\beta$-decay half-lives of neutron-rich nuclei with $20 \leqslant Z \leqslant 50$ are systematically investigated using the newly developed fully self-consistent proton-neutron quasiparticle random phase approximation (QRPA), based on the spherical relativistic Hartree-Fock-Bogoliubov (RHFB) framework. Available data are reproduced by including an isospin-dependent proton-neutron pairing interaction in the isoscalar channel of the RHFB+QRPA model. With the calculated $\beta$-decay half-lives of neutron-rich nuclei a remarkable speeding up of $r$-matter flow is predicted. This leads to enhanced $r$-process abundances of elements with $A \gtrsim 140$, an important result for the understanding of the origin of heavy elements in the universe., Comment: 14 pages, 4 figures

The structure of low-energy collective states in proton-deficient N=28 isotones is analyzed using structure models based on the relativistic energy density functional DD-PC1. The relativistic Hartree-Bogoliubov model for triaxial nuclei is used to calculate binding energy maps in the $\beta$-$\gamma$ plane. The evolution of neutron and proton single-particle levels with quadrupole deformation, and the occurrence of gaps around the Fermi surface, provide a simple microscopic interpretation of the onset of deformation and shape coexistence. Starting from self-consistent constrained energy surfaces calculated with the functional DD-PC1, a collective Hamiltonian for quadrupole vibrations and rotations is employed in the analysis of excitation spectra and transition rates of $^{46}$Ar, $^{44}$S, and $^{42}$Si. The results are compared to available data, and previous studies based either on the mean-field approach or large-scale shell-model calculations. The present study is particularly focused on $^{44}$S, for which data have recently been reported that indicate pronounced shape coexistence., Comment: 31 pages, 11 figures. arXiv admin note: text overlap with arXiv:1102.4193

Starting from the adiabatic time-dependent Hartree-Fock approximation (ATDHF), we propose an efficient method to calculate the Thouless-Valatin moments of inertia for the nuclear system. The method is based on the rapid convergence of the expansion of the inertia matrix. The accuracy of the proposed method is verified in the rotational case by comparing the results with the exact Thouless-Valatin moments of inertia calculated using the self-consistent cranking model. The proposed method is computationally much more efficient than the full ATDHF calculation, yet it retains a high accuracy of the order of 1%., Comment: 16 pages, 3 figures

Using the framework of nuclear energy density functionals we examine the conditions for single-nucleon localization and formation of cluster structures in finite nuclei. We propose to characterize localization by the ratio of the dispersion of single-nucleon wave functions to the average inter-nucleon distance. This parameter generally increases with mass and describes the gradual transition from a hybrid phase in light nuclei, characterized by the spatial localization of individual nucleon states that leads to the formation of cluster structures, toward the Fermi liquid phase in heavier nuclei. Values of the localization parameter that correspond to a crystal phase cannot occur in finite nuclei. Typical length and energy scales in nuclei allow the formation of liquid drops, clusters, and halo structures., Comment: 6 pages, 3 figures

Relativistic energy density functionals (REDF) provide a complete and accurate, global description of nuclear structure phenomena. A modern semi-empirical functional, adjusted to the nuclear matter equation of state and to empirical masses of deformed nuclei, is applied to studies of shapes of superheavy nuclei. The theoretical framework is tested in a comparison of calculated masses, quadrupole deformations, and potential energy barriers to available data on actinide isotopes. Self-consistent mean-field calculations predict a variety of spherical, axial and triaxial shapes of long-lived superheavy nuclei, and their alpha-decay energies and half-lives are compared to data. A microscopic, REDF-based, quadrupole collective Hamiltonian model is used to study the effect of explicit treatment of collective correlations in the calculation of Q{\alpha} values and half-lives., Comment: 23 pages, 10 figures

Nucleonic matter displays a quantum liquid structure, but in some cases finite nuclei behave like molecules composed of clusters of protons and neutrons. Clustering is a recurrent feature in light nuclei, from beryllium to nickel. For instance, in $^{12}$C the Hoyle state, crucial for stellar nucleosynthesis, can be described as a nuclear molecule consisting of three alpha-particles. The mechanism of cluster formation, however, has not yet been fully understood. We show that the origin of clustering can be traced back to the depth of the confining nuclear potential. By employing the theoretical framework of energy density functionals that encompasses both cluster and quantum liquid-drop aspects of nuclei, it is shown that the depth of the potential determines the energy spacings between single-nucleon orbitals, the localization of the corresponding wave functions and, therefore, the degree of nucleonic density clustering. Relativistic functionals, in particular, are characterized by deep single-nucleon potentials. When compared to non-relativistic functionals that yield similar ground-state properties (binding energy, deformation, radii), they predict the occurrence of much more pronounced cluster structures. More generally, clustering is considered as a transitional phenomenon between crystalline and quantum liquid phases of fermionic systems., Comment: 4 pages, 4 figures, submitted for publication

\gamma-softness in atomic nuclei is investigated in the framework of energy density functionals. By mapping constrained microscopic energy surfaces for a set of representative non-axial medium-heavy and heavy nuclei to a Hamiltonian of the proton-neutron interacting boson model (IBM-2) containing up to three-body interactions, low-lying collective spectra and transition rates are calculated. Observables are analyzed that distinguish between the two limiting geometrical pictures of non-axial nuclei: the rigid-triaxial rotor and the \gamma-unstable rotor. It is shown that neither of these pictures is realized in actual nuclei, and that a microscopic description leads to results that are almost exactly in between the two geometrical limits. This finding points to the optimal choice of the IBM Hamiltonian for \gamma-soft nuclei., Comment: 5 pages, 3 figures, Phys. Rev. Lett. in press

Modern applications of Covariant Density Functional Theory (CDFT) are discussed. First we show a systematic investigation of fission barriers in actinide nuclei within constraint relativistic mean field theory allowing for triaxial deformations. In the second part we discuss a microscopic theory of quantum phase transitions (QPT) based on the relativistic generator coordinate method.

Microscopic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing an accurate global description of nuclear ground states and collective excitations. For spectroscopic applications this framework has to be extended to account for collective correlations related to restoration of symmetries broken by the static mean field, and for fluctuations of collective variables. In this work we compare two approaches to five-dimensional quadrupole dynamics: the collective Hamiltonian for quadrupole vibrations and rotations, and the Interacting Boson Model. The two models are compared in a study of the evolution of non-axial shapes in Pt isotopes. Starting from the binding energy surfaces of $^{192,194,196}$Pt, calculated with a microscopic energy density functional, we analyze the resulting low-energy collective spectra obtained from the collective Hamiltonian, and the corresponding IBM-2 Hamiltonian. The calculated excitation spectra and transition probabilities for the ground-state bands and the $\gamma$-vibration bands are compared to the corresponding sequences of experimental states., Comment: 10 pages, 4 figures; to be published in Phys. Rev. C

The transition density $n_t$ and pressure $P_t$ at the inner edge between the liquid core and the solid crust of a neutron star are analyzed using the thermodynamical method and the framework of relativistic nuclear energy density functionals. Starting from a functional that has been carefully adjusted to experimental binding energies of finite nuclei, and varying the density dependence of the corresponding symmetry energy within the limits determined by isovector properties of finite nuclei, we estimate the constraints on the core-crust transition density and pressure of neutron stars: $0.086 \ {\rm fm}^{-3} \leq n_t < 0.090 \ {\rm fm}^{-3}$ and $0.3\ {\rm MeV \ fm}^{-3} < P_t \leq 0.76 \ {\rm MeV \ fm}^{-3}$., Comment: 17 pages, 9 figures, 2 tables

The rapid transition between spherical and $\gamma$-soft shapes in Ba and Xe nuclei in the mass region $A \geq 130$ is analyzed using excitation spectra and collective wave functions obtained by diagonalization of a five-dimensional Hamiltonian for quadrupole vibrational and rotational degrees of freedom, with parameters determined by constrained self-consistent relativistic mean-field calculations for triaxial shapes. The results reproduce the characteristic evolution of excitation spectra and E2 transition probabilities and, in general, a good agreement with available data is obtained. The calculated spectra display fingerprints of a second-order shape phase transition that can approximately be described by analytic solutions corresponding to the E(5) dynamical symmetry., Comment: 22 pages, 13 figures, accepted for publication in Physical Review C

Microscopic signatures of nuclear ground-state shape phase transitions in Nd isotopes are studied using excitation spectra and collective wave functions obtained by diagonalization of a five-dimensional Hamiltonian for quadrupole vibrational and rotational degrees of freedom, with parameters determined by constrained self-consistent relativistic mean-field calculations for triaxial shapes. As a function of the physical control parameter -- the number of nucleons, energy gaps between the ground state and the excited vibrational states with zero angular momentum, isomer shifts, and monopole transition strengths, exhibit sharp discontinuities at neutron number N=90, characteristic of a first-order quantum phase transition., Comment: 5 pages, 4 figures, accepted for publication as a Rapid Communication in Physical Review C

A recently introduced separable pairing force for relativistic Hartree-Bogoliubov (RHB) calculations, adjusted in nuclear matter to the pairing gap of the Gogny force, is employed in the 3D RHB model for triaxial shapes. The pairing force is separable in momentum space but, when transformed to coordinate space in calculations of finite nuclei, it is no longer separable because of translational invariance. The corresponding pairing matrix elements are represented as a sum of a finite number of separable terms in the basis of a 3D harmonic oscillator. The 3D RHB model is applied to the calculation of binding energy surfaces and pairing energy maps for a sequence of even-A Sm isotopes., Comment: 26 pages, 6 figures