Finite Amplitude Method Research Articles

Computing the QRPA level density with the finite amplitude method

We describe a new algorithm to calculate the vibrational nuclear level density of an atomic nucleus. Fictitious perturbation operators that probe the response of the system are generated by drawing their matrix elements from some probability distribution function. We use the Finite Amplitude Method to explicitly compute the response for each such sample. With the help of the Kernel Polynomial Method, we build an estimator of the vibrational level density and provide the upper bound of the relative error in the limit of infinitely many random samples. The new algorithm can give accurate estimates of the vibrational level density. Since it is based on drawing multiple samples of perturbation operators, its computational implementation is naturally parallel and scales like the number of available processing units.

Numerical convergence of electromagnetic responses with the finite-amplitude method

The response of a nucleus to an electromagnetic probe is a key quantity to simulate photabsorption or photodeexcitation processes. For large calculations at the scale of the entire mass table, this response can be estimated by linear response theory. Thanks to the introduction of the finite-amplitude method (FAM), calculations are computationally efficient. In this paper, we investigate in more details the convergence of FAM calculations of the response function as a function of the parameters controlling the numerical implementation of the theory. We show that the response is much less sensitive to the details of the single-particle basis than, e.g., Hartree-Fock-Bogoliubov calculations.

Noniterative finite amplitude methods for giant resonances and the application to the neutron radiative capture cross sections

We calculate the electric dipole (E1) and the magnetic dipole (M1) giant resonances with noniterative finite amplitude methods and demonstrate how the fully microscopic density functional theory predicts the giant resonances without any phenomenological parameters. Then, we calculate neutron capture reactions based on the statistical Hauser-Feshbach theory with the result of E1 and M1 transitions and find that the capture cross sections for deformed nuclei are enhanced due to the contribution from the low energy M1 scissors mode.

Quasiparticle random-phase approximation calculations forM1transitions with the noniterative finite-amplitude method and application to neutron radiative capture cross sections

We derive the equations of quasiparticle random-phase approximation (QRPA) based on the finite amplitude method (FAM) with the Hartree-Fock+BCS (HF+BCS) single-particle states, and calculate the magnetic dipole (M1) transition for deformed gadolinium isotopes. Our QRPA calculation shows both large spin-flip transitions in the 5 to 10 MeV excitation energy and the low energy orbital transition that would correspond to the M1 scissors mode observed in nuclear experiments. Then, we calculate neutron capture reactions based on the statistical Hauser-Feshbach theory with the photoabsorption cross sections given by QRPA. We find that the capture cross section is enhanced due to the contribution from the low energy M1 transition although the calculated capture cross section still underestimates the experimental data. This issue in the calculated capture cross section could be improved by uncertainties of low energy E1 transition neglected in our QRPA calculation.

Implementation of the quasiparticle finite amplitude method within the relativistic self-consistent mean-field framework (II): The program DIRQFAM v2.0.0

We describe the new version 2.0.0 of the code DIRQFAM that calculates the multipole response of even-even axially symmetric deformed nuclei using the framework of relativistic self-consistent mean-field models. The response is calculated by implementing the finite amplitude method for relativistic quasiparticle random phase approximation. In the new version, we have implemented the following features: (i) meson-exchange interactions, (ii) low-rank method for calculating induced densities and currents, (iii) generalized minimal residual method (GMRES), (iv) evaluation of the nucleon localization function, (v) extraction of the QRPA transition matrix elements and eigenfrequencies, (vi) evaluation of the H11 part of the induced Hamiltonian, (vii) multipole excitation operators up to J≤5 are now included. Program summaryProgram title:DIRQFAM v2.0.0CPC Library link to program files:https://doi.org/10.17632/6gv8nxg4ns.2Licensing provisions: GPLv3Programming language: Fortran 90.External routines/libraries: BLAS/LAPACK, version 3.1. or higher.Journal reference of previous version: A. Bjelčić, T. Nikšić, Comp. Phys. Comm. 253, 107184 (2020).Does the new version supersede the previous version?: YesNature of problem: Multipole response of deformed even-even open-shell nuclei can be calculated using the quasiparticle finite amplitude method (QFAM), based on the relativistic self-consistent mean-field models. The particle-hole channel is described by a zero-range relativistic effective interaction or interaction based on meson exchange, while the particle-particle channel of the effective inter-nucleon interaction is described by a separable finite-range pairing force. The method can be applied to perform systematic studies of collective modes even in heavy deformed nuclei.Solution method: The current implementation computes the multipole response by solving the QFAM equations in a self-consistent iteration scheme. At each iteration the QFAM solutions are updated using the GMRES method. The QFAM amplitudes are expanded in the simplex-y harmonic oscillator basis.Summary of revisions:1.meson-exchange interaction are included in the code;2.calculation of the nucleon localization function;3.extraction of the QRPA transition matrix elements and eigenfrequencies;4.evaluation of the H11 part of the induced Hamiltonian;5.multipoles excitation operators up to J≤5 are included;6.low-rank method for calculating induced densities and currents;7.generalized minimal residual method;8.dynamic memory allocation;9.reduced memory requirements;Additional comments including restrictions and unusual features: Open-shell even-even nuclei with parity conserved axially symmetric ground states are considered. An electric multipole operator with J≤5 is used to calculate the response function.

Microscopic response theory for strongly coupled superfluid fermionic systems

A consistent microscopic theory for the response of strongly-coupled superfluid fermionic systems is formulated. After defining the response as a two-point two-fermion correlation function in the basis of the Bogolyubov's quasiparticles, the equation of motion (EOM) method is applied using the most general fermionic Hamiltonian with a bare two-body interaction, also transformed to the quasiparticle space. As a superfluid extension of the case of the normal phase, the resulting EOM is of the Bethe-Salpeter-Dyson form with the static and dynamical interaction kernels, where the former determines the short-range correlations and the latter is responsible for the long-range ones. Both kernels as well as the entire EOM have the double dimension as compared to that of the normal phase. Non-perturbative approximations via the cluster decomposition of the dynamical kernel are discussed, with the major focus on a continuous derivation of the quasiparticle-phonon coupling variant of the latter kernel, where the phonons (vibrations) are composite correlated two-quasiparticle states unifying both the normal and pairing modes. The developed theory is adopted for nuclear structure applications, such as the nuclear response in various channels. In particular, the finite-amplitude method generalized beyond the quasiparticle random phase approximation, taking into account the quasiparticle-vibration coupling, is formulated for prospective calculations in non-spherical nuclei.

Gross theory of β decay by considering the spin-orbit splitting from relativistic Hartree-Bogoliubov theory

Nuclear $\ensuremath{\beta}$-decay half-lives are predicted with the so-called gross theory, which is improved by including the spin-orbit splitting from relativistic Hartree-Bogoliubov theory. The calculated differences between the Gamow-Teller and Fermi transition energies are in excellent agreement with experimental data for Zr, Sn, and Pb isotopes. The influences of the $Q$ value and the integrated Fermi function on the calculations of $\ensuremath{\beta}$-decay half-lives are carefully studied. Based on the mass predictions of the latest Weizs\"acker-Skyrme model, the half-lives from Ca to Pb isotopes are systematically calculated. It is found that the Weizs\"acker-Skyrme model well reproduces the experimental data with accuracy better than that of quasiparticle random-phase approximation approaches. When extrapolated to the unknown region, our results are generally close to those from the Skyrme finite-amplitude method. This improved gross theory can be employed to calculate half-lives based on mass predictions of various models and hence can provide relatively consistent half-life inputs for the $r$-process studies.

Triaxiality-induced monopole-quadrupole-hexadecupole coupling in the isoscalar giant resonances ofGe86

The isoscalar giant resonances for $^{86}\mathrm{Ge}$ are studied by the quasiparticle finite amplitude method based on the covariant density functional theory. In addition to the well-known monopole-quadrupole coupling that splits the isoscalar giant monopole resonance in axially deformed nuclei, a monopole-quadrupole-hexadecupole coupling is identified in the neutron-rich triaxially deformed nucleus $^{86}\mathrm{Ge}$, leading to the emergence of a distinct resonance peak at the low energy side of the isoscalar monopole strength function. The transition density of the triaxiality-induced resonance peak shows a strong interplay among monopole, quadrupole, and hexadecupole vibrations. The resonance peak responds to monopole, quadrupole, and hexadecupole perturbations simultaneously, which could be regarded as a fingerprint of the triaxiality in $^{86}\mathrm{Ge}$.

Many-body approach to superfluid nuclei in axial geometry

Starting from a general many-body fermionic Hamiltonian, we derive the equations of motion (EOM) for nucleonic propagators in a superfluid system. The resulting EOM is of the Dyson type formulated in the basis of Bogoliubov's quasiparticles. As the leading contributions to the dynamical kernel of this EOM in strongly-coupled regimes contain phonon degrees of freedom in various channels, an efficient method of calculating phonon's characteristics is required to successfully model these kernels. The traditional quasiparticle random phase approximation (QRPA) solvers are typically used for this purpose in nuclear structure calculations, however, they become very prohibitive in nonspherical geometries. In this paper, by linking the notion of the quasiparticle-phonon vertex to the variation of the Bogoliubov's Hamiltonian, we show that the recently developed finite-amplitude method (FAM) can be efficiently employed to compute the vertices within the FAM-QRPA. To illustrate the validity of the method, calculations based on the relativistic density-dependent point-coupling Lagrangian are performed for the single-nucleon states in heavy and medium-mass nuclei with axial deformations. The cases of $^{38}\mathrm{Si}$ and $^{250}\mathrm{Cf}$ are presented and discussed.

Global calculation of two-neutrino double- β decay within the finite amplitude method in nuclear density functional theory

Two-neutrino double-beta ($2\nu\beta\beta$) decay has been used to constrain the neutron-proton part of effective interactions, which in turn is used to compute the nuclear matrix elements for neutrinoless double-beta decay, the observation of which would have important consequences for fundamental physics. We carefully examine $2\nu\beta\beta$ matrix elements within the proton-neutron quasiparticle random-phase approximation with nuclear energy density functionals. We work with functionals that are fit globally to single-beta-decay half-lives and charge-exchange giant-resonance energies, but not to $2\nu\beta\beta$ half-lives themselves, to evaluate the $2\nu\beta\beta$ nuclear matrix elements for all important nuclei, including those whose half-lives have not yet been measured. Such a comprehensive evaluation in large model spaces without configuration truncation requires an efficient computational scheme; we employ a double contour integration within the finite amplitude method. The results generally reproduce the nuclear matrix element extracted from half-lives well, without the use of any of those half-lives in the fitting procedure. We present predictions of the matrix elements in a total of 27 nuclei with half-lives that are still unmeasured.

Finite amplitude method on the deformed relativistic Hartree-Bogoliubov theory in continuum: The isoscalar giant monopole resonance in exotic nuclei

Finite amplitude method based on the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc-FAM) is developed and applied to study isoscalar giant monopole resonance in exotic nuclei. Validation of the numerical implementation is examined for $^{208}\textrm{Pb}$. The isoscalar giant monopole resonances for even-even calcium isotopes from $^{40}\textrm{Ca}$ to the last bound neutron-rich nucleus $^{80}\textrm{Ca}$ are calculated, and a good agreement with the available experimental centroid energies is obtained for $^{40-48}\textrm{Ca}$. For the exotic calcium isotopes, e.g., $^{68}\textrm{Ca}$ and $^{80}\textrm{Ca}$, the DRHBc-FAM calculated results are closer to the energy weighted sum rule than the calculations on the harmonic oscillator basis, which highlights the advantages of DRHBc-FAM in describing giant resonances for exotic nuclei. In order to explore the soft monopole mode in the exotic nuclei, the giant monopole resonance for the deformed exotic nucleus $^{200}\textrm{Nd}$ is investigated, where the prolate shape and the oblate shape coexist. A soft monopole mode near 6.0 MeV is found in the prolate case, and another one near 4.5 MeV is found in the oblate case. The transition density of the soft monopole mode shows in phase or out-of-phase vibrations near the surface region, which is generated by quadrupole vibrations.

Noniterative finite amplitude methods forE1andM1giant resonances

The finite amplitude method (FAM) is a very efficient approach for solving the fully self-consistent random-phase approximation (RPA) equations. We use FAM to rederive the RPA matrices for general Skyrme-like functionals, calculate the electric dipole (E1) and the magnetic dipole (M1) giant resonances, and compare the results with available experimental and evaluated data. For the E1 transitions in heavy nuclei, the calculations reproduce well the resonance energy of the photoabsorption cross sections. In the case of M1 transitions, we show that the residual interaction does not affect the transition strength of double-magic nuclei, which suggests that the spin terms in the Skyrme force currently neglected in the present computation could improve the agreement between FAM and experimental data.

Two-body weak currents in heavy nuclei

In light and medium-mass nuclei, two-body weak currents from chiral effective field theory account for a significant portion of the phenomenological quenching of Gamow-Teller transition matrix elements. Here we examine the systematic effects of two-body axial currents on Gamow-Teller strength and $\beta$-decay rates in heavy nuclei within energy-density functional theory. Using a Skyrme functional and the charge-changing finite amplitude method, we add the contributions of two-body currents to the usual one-body linear response in the Gamow-Teller channel, both exactly and though a density-matrix expansion. The two-body currents, as expected, usually quench both summed Gamow-Teller strength and decay rates, but by an amount that decreases as the neutron excess grows. In addition, they can enhance individual low-lying transitions, leading to decay rates that are quite different from those that an energy-independent quenching would produce, particularly in neutron-rich nuclei. We show that both these unexpected effects are related to changes in the total nucleon density as the number of neutrons increases.

Low-energy monopole strength in spherical and axially deformed nuclei: Cluster and soft modes

Background: Several recent experiments report significant low-energy isoscalar monopole strength, below the giant resonance, in various nuclei. In light $\ensuremath{\alpha}$-conjugate nuclei, these low-energy resonances were recently interpreted as cluster vibration modes. However, the nature of these excitations in neutron-rich nuclei remains elusive.Purpose: The present work provides a systematic analysis of the low-energy monopole strength in isotopic chains, from neon to germanium, in order to monitor and understand its nature and conditions of emergence.Methods: We perform covariant quasiparticle random phase approximation calculations, formulated within the finite amplitude method, on top of constrained relativistic Hartree-Bogoliubov (RHB) reference states.Results: Neutron excess leads to the appearance of low-energy excitations according to a systematic pattern reflecting the single-particle features of the underlying RHB reference state. With the onset of deformation, these low-energy resonances get split and give rise to more complex patterns, with possible mixing with the giant resonance. At lower energy, clusterlike excitations found in $N=Z$ systems survive in neutron-rich nuclei, with valence neutrons arranging in molecularlike orbitals. Finally, at very low energy, pair excitations are also found in superfluid nuclei, but remain negligible in most of the cases.Conclusions: The low-energy part of the monopole strength exhibits various modes, from cluster vibrations ($\ensuremath{\approx}$5--10 MeV) to components of the giant resonance downshifted by the onset of deformation, including soft modes ($\ensuremath{\approx}$10--15 MeV) as well as pair excitation ($<$5 MeV), with possible mixing, depending on neutron excess, deformation, and pairing energy.

Many-body theory for quasiparticle states in superfluid fermionic systems

We present a formalism for the fermionic quasiparticle propagator in a superfluid fermionic system. Starting from a general many-body hamiltonian confined by the two-body instantaneous interaction, the equation of motion for the fermionic propagator is obtained in the Dyson form. Before making any approximation, the interaction kernel is found to be decomposed into the static and dynamical (time-dependent) contributions, while the latter translates to the energy-dependent and the former maps to the energy-independent terms in the energy domain. The three-fermion correlation function being the heart of the dynamical part of the kernel is factorized into the two-fermion and one-fermion ones. With the relaxed particle number constraint, the normal propagator is coupled to the abnormal one via both the static and dynamical kernels, that is formalized by introducing the generalized quasiparticle propagator of the Gor'kov type. The dynamical kernel in the factorized form is associated with the quasiparticle-vibration coupling (QVC) with the vibrations unifying both the normal and pairing phonons. The QVC vertices are related to the variations of the Hamiltonian of the Bogoliubov quasiparticles, which can be obtained by the finite amplitude method.

Determination of nonlinearity parameter B/A of liquids by comparison with solutions of the three-dimensional Westervelt equation

Though nonlinear propagation depends upon the nonlinearity parameter B/A of the medium, it is often difficult to measure accurately. Thermodynamic methods often require high temperature and pressure excursions that can damage fragile molecules. Finite-amplitude methods often require unrealistic assumptions of ideal piston sources to account for diffraction effects. An alternative, described here, is to use the numerical solution of the three-dimensional Westervelt equation for weakly nonlinear fields (considering up to 10 s of harmonics of the fundamental frequency), and to match measured harmonic generation with that for simulated media. In particular, we follow Jafarzadeh et al. [Ultrasound Med. Biol. 47(3), 809–819 (2021)] to find that the nonlinearity parameter of a liquid can be recovered by determining the best match between measurements and simulations of media with different B/A values. Ideal piston sources with radial symmetry are not required, only a high-spatial-resolution hydrophone scan of the near-field source plane. Other techniques to determine the nonlinearity parameter by comparing propagation models with experiments, such as Richard et al. [New J. Phys. 22, 063021 (2020)], may improve on earlier measurement methods.

Evolution of soft monopole mode in the even-even nickel isotopes Ni58–68

The finite amplitude method is implemented for covariant density functional theory with the point-coupling functional PC-PK1 for deformed nuclei. The giant monopole resonances for even-even nickel isotopes $^{58\text{--}68}\mathrm{Ni}$ are studied. The experimentally reported soft monopole mode, a distinct form of nuclear compressional mode, for the unstable nucleus $^{68}\mathrm{Ni}$ is well reproduced. The evolution of the soft monopole mode in neutron-rich nickel isotopes is shown. Microscopic analysis of the transition density shows that the soft monopole mode is dominated by neutron vibrations.

Low-energy cluster modes in N=Z nuclei

Significant transition strength in light $\ensuremath{\alpha}$-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 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 cluster mode structures: $\ensuremath{\alpha}+^{12}\mathrm{C}+\ensuremath{\alpha}$ and $\ensuremath{\alpha}+^{16}\mathrm{O}$ in $^{20}\mathrm{Ne}, ^{12}\mathrm{C}+^{12}\mathrm{C}$ in $^{24}\mathrm{Mg}, 4\ensuremath{\alpha}+^{12}\mathrm{C}$ in $^{28}\mathrm{Si}$, etc. Such cluster modes are favored in light nuclei with large deformation.

Finite-amplitude method for collective inertia in spontaneous fission

Background: Microscopic description of spontaneous fission is one of the most challenging subjects in nuclear physics. It is necessary to evaluate the collective potential and the collective inertia along a fission path for a description of quantum tunneling in spontaneous or low-energy fission. In past studies of the fission dynamics based on nuclear energy density functional (EDF) theory, the collective inertia has been evaluated with the cranking approximation, which neglects dynamical residual effects. Purpose: The purpose is to provide a reliable and efficient method to include dynamical residual effects in the collective inertia for fission dynamics. Methods: We use the local quasiparticle random-phase approximation (LQRPA) to evaluate the collective inertia along a fission path obtained by the constrained Hartree-Fock-Bogoliubov method with the Skyrme EDF. The finite-amplitude method (FAM) with a contour integration technique enables us to efficiently compute the collective inertia in a large model space. Results: We evaluate the FAM-QRPA collective inertia along a symmetric fission path in $^{240}$Pu and $^{256}$Fm. The FAM-QRPA inertia is significantly larger than the one of the cranking approximation, and shows pronounced peaks around the ground state and the fission isomer. This is due to dynamical residual effects. Conclusions: To describe the spontaneous or low-energy fission, we provide a reliable and efficient method to construct the collective inertia with dynamical residual effects that have been neglected in most of EDF-based works in the past. We show the importance of dynamical residual effects to the collective inertia. This work will be a starting point for a systematic study of fission dynamics in heavy and superheavy nuclei to microscopically describe the nuclear large-amplitude collective motions.

Determination of the Ultrasonic Non-linearity Parameter B/A versus Frequency for Water

For tissue characterization, it is desirable to determine B/A using high-frequency transducers. Moreover, an accurate estimate of B/A at elevated frequencies (or at least the assumption of frequency independence of B/A) is required to evaluate the safety of high-frequency systems. However, common finite-amplitude approaches become increasingly inaccurate at high frequencies. In this article, a practical variation of the finite-amplitude method is proposed which combines experiments with numerical simulations of the Khokhlov–Zabolotskaya–Kuznetsov equation and can be used at elevated frequencies. The results at low frequencies show that the proposed approach is accurate with lower uncertainties compared with the finite-amplitude method because it avoids assumptions and approximations. The measured values of B/A versus frequency for water at 2.25–20 MHz show that there is no statistically significant variation in B/A values with frequency, and therefore the assumption of frequency independence of B/A is realistic.