Generator Coordinate Method Research Articles

Variational approximations to exact solutions in shell-model valence spaces: Calcium isotopes in the pf shell

We study the performance of self-consistent mean-field and beyond-mean-field approximations in shell-model valence spaces. In particular, Hartree-Fock-Bogolyubov, particle-number variation after projection and projected generator coordinate methods are applied to obtain ground-state and excitation energies for even-even and odd-even Calcium isotopes in the pf-shell. The standard (and non-trivial) KB3G nuclear effective interaction has been used. The comparison with the exact solutions -- provided by the full diagonalization of the Hamiltonian -- shows an outstanding agreement when particle-number and angular-momentum restorations are performed and both quadrupole and neutron-neutron pairing degrees of freedom are explicitly explored as collective coordinates.

Union of rotational and vibrational modes in generator-coordinate-type calculations, with application to neutrinoless double- β decay

Good many-body methods for medium and heavy nuclei are important. Here we combine ideas from standard generator-coordinate methods (GCM) and the so-called Monte Carlo shell model, and set forth a novel approach: starting from a mean-field solution (Hartree-Fock-Bogoliubov), we create a set of non-orthogonal basis states, by using low-lying vibrational quasiparticleTamm-Dancoff modes, and then project onto states of good angular momentum and particle number. The results we benchmark against full shell model calculations. Even with just a few such modes we find improvement over standard GCM calculations in excitation spectra. We also find significant improvement in $0\nu\beta\beta$ nuclear matrix elements.

Isoscalar dipole excitations in O16

Isoscalar (IS) monopole and dipole excitations in $^{16}$O were investigated by the method of shifted basis antisymmetrized molecular dynamics combined with the generator coordinate method. Significant strengths of the IS monopole and dipole transitions were obtained in the low-energy region below the giant resonances. In addition to the compressive mode, which mainly contributes to the high-energy strengths for the IS dipole giant resonance, we obtained a variety of low-energy dipole modes such as the vortical dipole mode in the $1^-_1$ state of the vibrating tetrahedral $4\alpha$ and the $^{12}$C+$\alpha$ cluster structure in the $1^-_2$ state. The $1^-_1$ state contributes to the significant low-energy strength of the IS dipole transition as 5\% of the energy-weighted sum rule, which describes well the experimental data observed by the $\alpha$ inelastic scattering.

First microscopic coupled-channels calculation of cross sections for inelastic α scattering off O16

The $\alpha$ inelastic scattering on $^{16}$O is investigated with the coupled-channel calculation using the $\alpha$-nucleus coupled-channel potentials, which are microscopically derived by folding the the Melbourne $g$-matrix $NN$ interaction with the $^{16}$O and $\alpha$ densities. The matter and transition densities of $^{16}$O are calculated by a microscopic structure model of the variation after the spin-parity projections combined with the generator coordinate method of $^{12}$C+$\alpha$ in the framework of the antisymmetrized molecular dynamics. The calculation reproduces the observed elastic and inelastic cross sections at incident energies of $E_\alpha$=104 MeV, 130 MeV, 146 MeV, and 386 MeV. The coupled-channel effect on the cross sections is also discussed.

α and triton clustering in Cl35

Coupling of cluster and deformed structures are important for dynamics of nuclear structure. Threshold energy has been discussed to explain cluster structures coupling to deformed states but relation between threshold energy and excitation energy has open problems. Negative-parity superdeformed (SD) states were observed by a $\gamma$-spectroscopy experiment in $^{35}$Cl but its detailed structure is unclear. By analyzing coupling of cluster structures in deformed states and high-lying cluster states in $^{35}$Cl, cluster structures coupling to deformed states and excitation energy of high-lying cluster states are investigated. The antisymmetrized molecular dynamics (AMD) and the generator coordinate method (GCM) are used. An AMD wave function is a Slater determinant of Gaussian wave packets. By energy variational calculations with constraints on deformation and clustering, wave functions of deformed structures and $\alpha$- and $t$-cluster structures are obtained. Adopting those wave functions as GCM basis, wave functions of ground and excited states are calculated. Various deformed bands are obtained and predicted. A $K^\pi = \frac{1}{2}^-$ deformed band, which corresponds to the observed SD band, dominates deformed structure and compact $\alpha$- and $t$-cluster structure components. Particle-hole configurations of the dominant components with deformed and cluster structures are similar. In high-lying states, almost pure $\alpha$- and $t$-cluster states are obtained in negative-parity states, and excitation energies of the $t$-cluster states are higher than those of $\alpha$-cluster states. In conclusions, particle-hole configurations of cluster structure with small intercluster distance are important for coupling to low-energy deformed states. Threshold energies reflect to excitation energies of high-lying almost pure cluster states.

Microscopic three-cluster study of light exotic nuclei

I develop a microscopic three-cluster model for exotic light nuclei. I use the hyperspherical formalism, associated with the Generator Coordinate Method. This model is well adapted to halo nuclei, since the long-range part of the radial wave functions is accurately reproduced. The core wave functions are described in the shell model, including excited states. This technique provides large bases, expressed in terms of projected Slater determinants. Matrix elements involve seven-dimension integrals, and therefore require long calculation times. I apply the model to 11Li, 14Be, 15B, and 17N described by two neutrons surrounding a 9Li, 12Be, 13B and 15N core, respectively. The 17Ne (as 15O+p+p) and 15Ne (as 13O+p+p) mirror nuclei are briefly discussed. I present the spectra and some spectroscopic properties, such as r.m.s. radii or E2 transition probabilities. I also analyze the importance of core excitations.

α scattering cross sections on C12 with a microscopic coupled-channels calculation

$\alpha$ elastic and inelastic scattering on $^{12}$C is investigated with the coupled-channel calculation using microscopic $\alpha$-$^{12}$C potentials, which are derived by folding the Melbourne $g$-matrix $NN$ interaction with the matter and transition densities of $^{12}$C. These densities are obtained by a microscopic structure model of the antisymmetrized molecular dynamics combined with and without the $3\alpha$ generator coordinate method. The calculation reproduces satisfactorily well the observed elastic and inelastic cross sections at incident energies of $E_\alpha=130$~MeV, 172.5~MeV, 240~MeV, and 386~MeV with no adjustable parameter. Isoscalar monopole and dipole excitations to the $0^+_2$, $0^+_3$, and $1^-_1$ states in the $\alpha$ scattering are discussed.

Low-energy dipole excitation modes in $^{10}$Be

Low-energy dipole excitations in ${}^{10}$Be were investigated based on the generator coordinate method with $\alpha + {}^6$He and $\alpha + \alpha + 2n$ cluster models. We obtained three $1^-$ states in $E_{x} < 15$~MeV, which show different characters in the $E1$, compressive dipole, and toroidal dipole transition strengths. We found the strong toroidal dipole transition in the $1_1^-$ state, remarkable $E1$ strength in the $1^-_2$ state, and the strong $E1$ and compressive dipole strength in the $1^-_3$ state. The $1^-_1$ is described by the $\alpha + {}^6$He cluster structure, where as the $1^-_2$ and $1^-_3$ states are understood by three-body excitations of the $\alpha + \alpha + 2n$ clustering.

Time-dependent generator-coordinate-method study of mass-asymmetric fission of actinides

Low-energy positive and negative parity collective states in the equilibrium minimum, and the dynamics of induced fission of actinide nuclei are investigated in a unified theoretical framework based on the generator coordinate method (GCM) with the Gaussian overlap approximation (GOA). The collective potential and inertia tensor, both at zero and finite temperature, are computed using the self-consistent multidimensionally constrained relativistic mean field model, based on the energy density functional DD-PC1. Pairing correlations are treated in the Bardeen-Cooper-Schrieffer approximation with a separable pairing force of finite range. A collective quadrupole-octupole Hamiltonian characterized by zero-temperature axially symmetric deformation energy surface and perturbative cranking inertia tensor, is used to model the low-lying excitation spectrum. The fission fragment charge distributions are obtained by propagating the initial collective states in time with the time-dependent GCM+GOA that uses the same quadrupole-octupole Hamiltonian, but with the collective potential and inertia tensor computed at finite temperature. The illustrative charge yields of $^{228}\mathrm{Th}$, $^{234}\mathrm{U}$, $^{240}\mathrm{Pu}$, $^{244}\mathrm{Cm}$, and $^{250}\mathrm{Cf}$ are in very good agreement with experiment, and the predicted mass asymmetry is consistent with the result of a recent microscopic study that has attributed the distribution (peak) of the heavier-fragment nuclei to shell-stabilized octupole deformations.

Cluster structures in C12 from global energy density functionals

Spectroscopic properties of low-lying states and cluster structures in $^{12}$C are analyzed in a "beyond mean-field framework" based on global energy density functionals (EDFs). To build symmetry-conserving collective states, axially-symmetric and reflection-asymmetric solutions of the relativistic Hartree-Bogoliubov equations are first projected onto good values of angular momentum, particle number, and parity. Configuration mixing is implemented using the generator coordinate method formalism. It is shown that such a global microscopic approach, based on a relativistic EDF, can account for the main spectroscopic features of $^{12}$C, including the ground-state and linear-chain bands as well as, to a certain approximation, the excitation energy of the Hoyle state. The calculated form factors reproduce reasonably well the available experimental values, and display an accuracy comparable to that of dedicated microscopic cluster models.

Structure of Mg31 : Shape coexistence revealed by β−γ spectroscopy with spin-polarized Na31

The level structure of $^{31}\mathrm{Mg}$, which is located close to the region of the $N$ = 20 ``island of inversion'' in the nuclear chart, has been studied by $\ensuremath{\beta}\text{\ensuremath{-}}\ensuremath{\gamma}$ spectroscopy with spin-polarized $^{31}\mathrm{Na}$. In $^{31}\mathrm{Mg}$, shape coexistence is expected as a result of subtle competition between the spherical mean field and the nuclear correlation which favors deformed configurations. In the present work, our unique method utilizing the anisotropic $\ensuremath{\beta}$ decay of spin-polarized $^{31}\mathrm{Na}$ enables us to firmly assign the spins of all positive-parity excited levels in $^{31}\mathrm{Mg}$ below the neutron separation energy at 2.3 MeV. Furthermore, by constructing a very detailed decay scheme, including two newly found levels, the spins of negative-parity levels are restricted. The examination of the spectroscopic information shows that the deformed rotational bands with ${K}^{\ensuremath{\pi}}=1/{2}^{+}$ and $1/{2}^{\ensuremath{-}}$, which have very similar structures to those observed in a higher excitation energy region of $^{25}\mathrm{Mg}$, appear as the ground-state and low-lying bands, respectively, in $^{31}\mathrm{Mg}$. The experimental levels of $^{31}\mathrm{Mg}$ are compared, on the level-by-level basis, with two types of theoretical calculations. These are, first, the antisymmetrized molecular dynamics (AMD) plus generator coordinate method (GCM) and, second, the shell model with the EEdf1 interaction, which is microscopically derived from chiral effective field theory. It is understood that 8 levels among the experimental 11 levels are the members of four types of largely deformed rotational bands and 2 levels are of spherical nature. The $1/{2}^{+}$ 2.244-MeV level is successfully reproduced by the shell-model calculation with a dominant 4p4h configuration. The present work clearly demonstrates that various structures coexist in a low excitation energy region of $^{31}\mathrm{Mg}$.

From asymmetric to symmetric fission in the fermium isotopes within the time-dependent generator-coordinate-method formalism

Predicting the properties of neutron-rich nuclei far from the valley of stability is one of the major challenges of modern nuclear theory. In heavy and superheavy nuclei, a difference of only a few neutrons is sufficient to change the dominant fission mode. A theoretical approach capable of predicting such rapid transitions for neutron-rich systems would be a valuable tool to better understand r-process nucleosynthesis or the decay of super-heavy elements. In this work, we investigate for the first time the transition from asymmetric to symmetric fission through the calculation of primary fission yields with the time-dependent generator coordinate method (TDGCM). We choose here the transition in neutron-rich Fermium isotopes, which was the first to be observed experimentally in the late seventies and is often used as a benchmark for theoretical studies. We compute the primary fission fragment mass and charge yields for 254 Fm, 256 Fm and 258 Fm from the TDGCM under the Gaussian overlap approximation. The static part of the calculation (generation of a potential energy surface) consists in a series of constrained Hartree-Fock-Bogoliubov calculations based on the D1S, D1M or D1N parameterizations of the Gogny effective interaction in a two-center harmonic oscillator basis. The 2-dimensional dynamics in the collective space spanned by the quadrupole and octupole moments is then computed with the finite element solver FELIX-2.0. The available experimental data and the TDGCM post-dictions are consistent and agree especially on the position in the Fermium isotopic chain at which the transition occurs. The main limitation of the method lies in the presence of discontinuities in the 2-dimensional manifold of generator states.

Composite-particle decay widths by the generator coordinate method

We study the feasibility of applying the Generator Coordinate Method (GCM) of self-consistent mean-field theory to calculate decay widths of composite particles to composite-particle final states. The main question is how well the GCM can approximate continuum wave functions in the decay channels. The analysis is straightforward under the assumption that the GCM wave functions are separable into internal and Gaussian center-of-mass wave functions. Two methods are examined for calculating decay widths. In one method, the density of final states is computed entirely in the GCM framework. In the other method, it is determined by matching the GCM wave function to an asymptotic scattering wave function. Both methods are applied to a numerical example and are found to agree within their determined uncertainties.

Microscopic self-consistent description of induced fission dynamics: Finite-temperature effects

The dynamics of induced fission of $^{226}$Th is investigated in a theoretical framework based on the finite-temperature time-dependent generator coordinate method (TDGCM) in the Gaussian overlap approximation (GOA). The thermodynamical collective potential and inertia tensor at temperatures in the interval $T=0 - 1.25$ MeV are calculated using the self-consistent multidimensionally constrained relativistic mean field (MDC-RMF) model, based on the energy density functional DD-PC1. Pairing correlations are treated in the BCS approximation with a separable pairing force of finite range. Constrained RMF+BCS calculations are carried out in the collective space of axially symmetric quadrupole and octupole deformations for the asymmetric fissioning nucleus $^{226}$Th. The collective Hamiltonian is determined by the temperature-dependent free energy surface and perturbative cranking inertia tensor, and the TDGCM+GOA is used to propagate the initial collective state in time. The resulting charge and mass fragment distributions are analyzed as functions of the internal excitation energy. The model can qualitatively reproduce the empirical triple-humped structure of the fission charge and mass distributions already at $T=0$, but the precise experimental position of the asymmetric peaks and the symmetric-fission yield can only be accurately reproduced when the potential and inertia tensor of the collective Hamiltonian are determined at finite temperature, in this particular case between $T=0.75$ MeV and $T=1$ MeV.

Microscopic model of optical potential for testing the 12,14Be+p elastic scattering at 700 Mev

The data on the 12,14Be + p elastic scattering cross sections at 700 Mev are compared with those obtained by solving the relativistic wave equation with the microscopic optical potentials calculated as folding of the NN amplitude of scattering with densities of these nuclei in the form of the symmetrized Fermi function with the fitted radius and diffuseness parameters, and also with the densities obtained in two microscopic models, based on the Generator Coordinate Method (GCM) and the other one – on the Variational Method of Calculations (VMC). For 12Be, above models turn out to be in a small disagreement with the data at "large" angles of scattering θ ≥ 9°, while for the 14Be one sees some inconsistence at smaller angles, too.

Neutrinoless double- β decay of Sn124 , Te130 , and Xe136 in the Hamiltonian-based generator-coordinate method

We present a generator-coordinate method for realistic shell-model Hamiltonians that closely approximates the full shell model calculations of the matrix elements for the neutrinoless double-$\beta$ decay of $^{124}$Sn, $^{130}$Te, and $^{136}$Xe. We treat not only quadrupole deformations but also the proton-neutron pairing amplitudes as generator coordinates. We validate this method by calculating and comparing spectroscopic quantities with the exact shell model results and experimental data. Our Hamiltonian-based generator-coordinate method produces $0\nu\beta\beta$ matrix elements much closer to the shell model ones, compared to the existing energy-density-functional-based generator-coordinate approaches. The remaining overestimation of $0\nu\beta\beta$ nuclear matrix element suggests that additional correlations may be needed to be taken into account for $^{124}$Sn, $^{130}$Te, and $^{136}$Xe when calculating with the Hamiltonian-based generator-coordinate method. The validation of this method may open the possibility of calculating $0\nu\beta\beta$ matrix element of $^{150}$Nd in a large shell-model space.

Consequences of broken axial symmetry in heavy nuclei—an overview of the situation in the valley of stability

An overview on the various effects of axial symmetry breaking is presented for medium heavy and heavy nuclei covering the mass number range 70 < A < 240. The discussion includes various observations for nuclei: level densities, spectroscopic features as energies and transition rates, ground state masses and finally the splitting of giant dipole resonances. Quadrupole moments and rates can be derived from models of triaxial rigid rotation or cranking for a given triaxiality parameters γ, but microscopic considerations are needed to predict these for each nucleus investigated. Respective predictions were adopted from recently made Hartree–Fock–Bogolyubov (HFB) calculations extended to arbitrary triaxiality by a generator coordinate method. In accord to these, various observations as reported in this overview demonstrate the importance of allowing a breaking of axial symmetry for heavy nuclei already in the valley of stability. Considering this breaking as indicated from the HFB approach surprisingly many experimental data are well described globally without the need for local fit parameters. In addition to these comparisons it will be shown that it is advantageous to consider cγ = cos(3γ) an indicator of axiality for heavy nuclei independent of their quadrupole moment.

2α+t cluster structure in B11

The 2$\alpha+t$ cluster structure in $^{11}$B is investigated by the microscopic generator coordinate method (GCM) with the Brink cluster wave functions. With a proper choice of the parameters of the effective interaction, the calculated energy spectrum shows reasonable agreement with the observed low-lying spectra of both parities. On the basis of the calculated radii, monopole and $B(E2)$ transition strengths, several developed cluster states of $^{11}$B are suggested. For the negative-parity states, in addition to the well-known $3/2_3^-$ cluster state, the $1/2_2^-$ and $5/2_3^-$ states are also proposed as the well-developed cluster states. For the positive-parity states, it is found that many states around the 2$\alpha+t$ threshold show the feature of developed clusters. In particular, the $1/2_2^+$ state is found to have a linear-chain-like structure, which is consistent with the previous antisymmetrized molecular dynamics calculation, but contradicts to the orthogonality condition model calculation. It is also found that many of these positive-parity cluster candidates have the non-negligible isoscalar dipole transition strengths, which require the experimental confirmation.

Generator-coordinate reference states for spectra and 0νββ decay in the in-medium similarity renormalization group

We use a reference state based on symmetry-restored states from deformed mean-field or generator-coordinate-method (GCM) calculations in conjunction with the in-medium similarity-renormalization group (IMSRG) to compute spectra and matrix elements for neutrinoless double-beta ($0\nu\beta\beta$) decay. Because the decay involves ground states from two nuclei, we use evolved operators from the IMSRG in one nucleus in a subsequent GCM calculation in the other. We benchmark the resulting IMSRG+GCM method against complete shell-model diagonalization for both the energies of low-lying states in $^{48}$Ca and $^{48}$Ti and the $0\nu\beta\beta$ matrix element for the decay of $^{48}$Ca, all in a single valence shell. Our approach produces better spectra than either the IMSRG with a spherical-mean-field reference or GCM calculations with unevolved operators. For the $0\nu\beta\beta$ matrix element the improvement is slight, but we expect more significant effects in full ab-initio calculations.

Non-perturbative collective inertias for fission: A comparative study

The non-perturbative method to compute Adiabatic Time Dependent Hartree Fock Bogoliubov (ATDHFB) collective inertias is extended to the Generator Coordinate Method (GCM) in the Gaussian overlap approximation (GOA) including the case of density dependent forces. The two inertias schemes are computed along the fission path of the 234U and compared with the perturbative results. We find that the non-perturbative schemes predict very similar collective inertias with a much richer structure than the one predicted by perturbative calculations. Moreover, the non-perturbative inertias show an extraordinary similitude with the exact GCM inertias computed numerically from the energy overlap. These results indicate that the non-perturbative inertias provide the right structure as a function of the collective variable and only a phenomenological factor is required to mock up the exact GCM inertia, bringing new soundness to the microscopic description of fission.