We discuss the conservation of angular momentum in nuclear time-dependent Hartree-Fock calculations for a numerical representation of wave functions and potentials on a three-dimensional cartesian grid. Free rotation of a deformed nucleus performs extremely well even for relatively coarse spatial grids. Heavy ion collisions produce a highly excited compound system associated with substantial nucleon emission. These emitted nucleons reach the bounds of the numerical box which leads to a decrease of angular momentum. We discuss strategies to distinguish the physically justified loss from numerical artifacts.
The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell-model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature properties or the Hartree-Fock grand potential for finite-temperature properties. Various constraints may be imposed on the minima.
The Thermal Hartree-Fock-Bogoliubov approximation with reprojection to good quantum numbers is analyzed in a canonical ensemble. Simple recipes are given for the evaluation of traces, gradients and expectation values in the canonical ensemble.
We investigate the consequences of Fierz transformations acting upon the contact interactions for nucleon fields occurring in relativistic point coupling models in Hartree approximation, which yield the same models but in Hartree-Fock approximation instead. We find for four-fermion interactions occurring in two existing relativistic point coupling phenomenologies that whereas in Hartree the isovector-scalar strength, corresponding to delta-meson exchange, is unnaturally small, indicating a possible new symmetry, in Hartree-Fock it is instead comparable to the isovector-vector strength correspo…
We propose a mean field framework in which the charge and the parity symmetries of a single-particle state are broken. We break these symmetries to incorporate the correlation induced by the tensor force into a nuclear mean field model. We perform the charge- and the parity projections before variation and obtain a Hartree-Fock-like equation (charge- and parity-projected Hartree-Fock equation), which is solved self-consistently. We apply the Hartree-Fock-like equation to the alpha particle and find that, by breaking the parity and the charge symmetries, the correlation induced by the tensor fo…
A method for incorporating the effect of the resonant continuum into Hartree-Fock+BCS equations is proposed. The method is applied for the case of a neutron-rich nucleus calculated with a Skyrme-type force plus a zero-range pairing interaction and the results are compared with Hartree-Fock-Bogoliubov calculations. It is shown that the widths of resonant states have an important effect on the pairing properties of nuclei close to the drip line.
Density dependent relativistic Hartree-Fock theory has been extended to describe properties of exotic nuclei. The effects of Fock exchange terms and of pi - and rho - meson contributions are discussed. These effects are found to be more important for neutron rich nuclei than for nuclei near the valley of stability.
The spherical Hartree-Fock approximation is applied to the $abinitio$ no-core shell model, with a realistic effective nucleon-nucleon interaction in order to investigate the range of its utility. Hartree-Fock results for binding energies, one-body density distributions and occupation probabilities are compared with results from exact diagonalization in similar model spaces. We show that this mean field approximation, especially with second order corrections, is able to provide some useful approximatons for $^4He$ and $^{16}O$. We also explore the physical insights provided by the Hartree-Fock …
After a brief review of the Hartree-Fock-Bogoliubov method with Skyrme effective interactions, we show how it can be applied to the description of various nuclear systems, from finite nuclei to neutron-star crusts.
Spontaneous fission barriers, quadrupole inertia, and zero-point quadrupole-energy corrections are calculated for 252,256,258Fm in the framework of the self-consistent Skyrme-Hartree-Fock+BCS theory. Two ways of computing dynamical inertia are employed: the Gaussian Overlap Approximation to the Generator Coordinate Method and cranking ansatz. The Skyrme results are compared with those of the Gogny-Hartree-Fock-Bogolyubov model.
The pseudo-spin symmetry (PSS) is investigated in the density-dependent relativistic Hartree-Fock theory by taking {the} doubly magic nucleus $^{132}$Sn as a representative. It is found that the Fock terms bring significant contributions to the pseudo-spin orbital potentials (PSOP) and make it comparable to the pseudo-centrifugal barrier (PCB). However, these Fock terms in the PSOP are counteracted by other exchange terms due to the non-locality of the exchange potentials. The pseudo-spin orbital splitting indicates that the PSS is preserved well for the partner states $\lrb{ν3s_{1/2}, \nu2d_{…
A new relativistic Hartree-Fock approach with density-dependent $σ$, $ω$, $ρ$ and $π$ meson-nucleon couplings for finite nuclei and nuclear matter is presented. Good description for finite nuclei and nuclear matter is achieved with a number of adjustable parameters comparable to that of the relativistic mean field approach. With the Fock terms, the contribution of the $π$-meson is included and the description for the nucleon effective mass and its isospin and energy dependence is improved.
Deformation is fundamental to understanding nuclear structure. We compare two ways to efficiently realize deformation for many-fermion wavefunctions, the leading SU(3) irrep and the angular-momentum projected Hartree-Fock state. In the absence of single-particle spin-orbit splitting the two are nearly identical. With realistic forces, however, the difference between the two is non-trivial, with the angular-momentum projected Hartree-Fock state better approximating an ``exact'' wavefunction calculated in the fully interacting shell model. The difference is driven almost entirely by the single-p…
The recent progress in the localized covariant density functional constrained by the relativistic Hartree-Fock theory is briefly presented by taking the Gamow-Teller resonance in 90Zr as an example. It is shown that the constraints introduced by the Fock terms into the particle-hole residual interactions are straight forward and robust.
We present a simplified method to generate the Hartree-Fock Gamow basis from realistic nuclear forces. The Hartree-Fock iteration in the harmonic-oscillator basis is first performed, and then the obtained HF potential is analytically continued to the complex-k plane, finally by solving the Schrödinger equation in the complex-k plane the Gamow basis is obtained. As examples, the method is applied to 4He and 22O with the renormalized chiral N3LO potential. The basis obtained which includes bound, resonant and scattering states can be further used in many-body calculations to study weakly bound n…
We show that formally for the standard ansatz relativistic point-coupling mean-field (RMF-PC) model a lagrangian density L is not equivalent in Hartree and Hartree-Fock approximations. The equivalency can be achieved only if we use a ``complete'' ansatz at the cost of introducing new parameters in the model. An approximate treatment of the exchange terms from standard RMF-PC indicates that these effects cannot be easily, if at all, absorbed by a Dirac-Hartree approximation.
We describe the new version (v2.07f) of the code HFODD which solves the nuclear Skyrme-Hartree-Fock or Skyrme-Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, all symmetries can be broken, which allows for calculations with angular frequency and angular momentum tilted with respect to the mass distribution. The new version contains an interface to the LAPACK subroutine ZHPEVX.
We present a fully microscopic study of the $^{16}$O+$^{208}$Pb fusion using the density-constrained time-dependent Hartree-Fock theory. The calculated fusion cross-sections are in good agreement with the experimental data for the entire energy range indicating that the incorporation of dynamical effects is crucial in describing heavy-ion fusion.
We propose a new method to solve the Hartree-Fock-Bogoliubov equations for weakly bound nuclei, which works for both spherical and axially deformed cases. In this approach, the quasiparticle wave functions are expanded in a complete set of analytical Poschl-Teller-Ginocchio and Bessel/Coulomb wave functions. Correct asymptotic properties of the quasiparticle wave functions are endowed in the proposed algorithm. Good agreement is obtained with the results of the Hartree-Fock-Bogoliubov calculation using the box boundary condition for a set of benchmark spherical and deformed nuclei.
We describe the new version (v1.75r) of the code HFODD which solves the nuclear Skyrme-Hartree-Fock problem by using the Cartesian deformed harmonic-oscillator basis. Three minor errors that went undetected in the previous version have been corrected. The new version contains an interface to the LAPACK subroutine ZHPEV. Several methods of terminating the Hartree-Fock iteration procedure, and an algorithm that allows to follow the diabatic configurations, have been implemented.
A numerical method to solve time-dependent Hartree-Fock-Bogoliubov equation is proposed to treat the case with Gogny effective interaction. To check the feasibility of the method, it is applied to oxygen isotope O20 and small amplitude oscillations are calculated. The conservation of the nucleon numbers as well as energy expectation value is demonstrated. The strength distributions of the small amplitude quadrupole oscillations are also shown.
Starting with a bare nucleon-nucleon interaction, for the first time the full relativistic Brueckner-Hartree-Fock equations are solved for finite nuclei in a Dirac-Woods-Saxon basis. No free parameters are introduced to calculate the ground-state properties of finite nuclei. The nucleus $^{16}$O is investigated as an example. The resulting ground-state properties, such as binding energy and charge radius, are considerably improved as compared with the non-relativistic Brueckner-Hartree-Fock results and much closer to the experimental data. This opens the door for \emph{ab initio} covariant inv…
We describe the first version (v1.00) of the code HFBRAD which solves the Skyrme-Hartree-Fock or Skyrme-Hartree-Fock-Bogolyubov equations in the coordinate representation within the spherical symmetry. A realistic representation of the quasiparticle wave functions on the space lattice allows for performing calculations up to the particle drip lines. Zero-range density-dependent interactions are used in the pairing channel. The pairing energy is calculated by either using a cut-off energy in the quasiparticle spectrum or the regularization scheme proposed by A. Bulgac and Y. Yu.
Time-dependent Hartree-Fock calculations have been performed for fusion reactions of He-4 + He-4 -> Be*-8, followed by He-4 + Be*-8 . Depending on the orientation of the initial state, a linear chain vibrational state or a triangular vibration is found in 12C, with transitions between these states observed. The vibrations of the linear chain state and the triangular state occur at ~9 and 4 MeV respectively.
We present an ideal system of interacting fermions where the solutions of the many-body Schroedinger equation can be obtained without making approximations. These exact solutions are used to test the validity of two many-body effective approaches, the Hartree-Fock and the Random Phase Approximation theories. The description of the ground state done by the effective theories improves with increasing number of particles.
We introduce a natural and simple to implement renormalization scheme of the Hartree-Fock-Bogoliubov (HFB) equations for the case of zero range pairing interaction. This renormalization scheme proves to be equivalent to a simple energy cut-off with a position dependent running coupling constant.
We review the current status of our microscopic calculations in asymmetric nuclear matter. Updated predictions of the equation of state are made available to potential users. We discuss the features of our EoS in relation to the predicted neutron star maximum masses.
We provide a discussion of issues related to the center-of-mass motion and cross-channel coupling in applications of the time-dependent Hartree-Fock (TDHF) theory to heavy-ion collisions. We find that the entrance channel dynamics of a heavy-ion collision as described by TDHF does not seem to be significantly influenced by these effects, whereas the long-time evolution may be less reliable.
Charge radii of Sn, Ba, Yb, and Pb isotopes are calculated within Hartree-Fock-Bogoliubov theory with a Skyrme force and a density-dependent delta-force pairing. We investigate mean field effects of the pairing upon odd-even staggering of isotope shifts. HFB equations are solved in the canonical basis. Odd nuclei are treated in the blocking approximation.
Symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations are derived using the variational ansatz for the generalized one-body density-matrix in the Valatin form. It is shown that the projected-energy functional can be completely expressed in terms of the HFB density-matrix and the pairing-tensor. The variation of this projected-energy is shown to result in HFB equations with modified expressions for the pairing-potential and the Hartree-Fock field. The expressions for these quantities are explicitly derived for the case of particle number-projection. The numerical applicability of this proj…
Ground state energies and decay widths of particle unstable nuclei are calculated within the Hartree-Fock approximation by performing a complex scaling of the many-body Hamiltonian. Through this transformation, the wave functions of the resonant states become square integrable. The method is implemented with Skyrme effective interactions. Several Skyrme parametrizations are tested on four unstable nuclei: 10He, 12O, 26O and 28O.
We solve the Hartree-Fock-Bogoliubov (HFB) equations for a spherical mean field and a pairing potential with the inverse Hamiltonian method, which we have developed for the solution of the Dirac equation. This method is based on the variational principle for the inverse Hamiltonian, and is applicable to Hamiltonians that are bound neither from above nor below. We demonstrate that the method works well not only for the Dirac but also for the HFB equations.
The hole--spectral functions and from these the spectroscopic factors have been calculated in an Galilei--invariant way for the ground state wave functions resulting from spherical Hartree--Fock calculations with projection onto zero total linear momentum before the variation for the nuclei 4He, 12C, 16O, 28Si, 32S and 40Ca. The results are compared to those of the conventional approach which uses the ground states resulting from usual spherical Hartree--Fock calculations subtracting the kinetic energy of the center of mass motion before the variation and to the results obtained analytically w…
Spherical Hartree--Fock calculations with projection onto zero total linear momentum before the variation are performed for the nuclei 4He, 12C, 16O, 28Si, 32S and 40Ca using a density--independent effective nucleon--nucleon interaction. The results are compared to those of usual spherical Hartree--Fock calculations subtracting the kinetic energy of the center of mass motion either before or after the variation and to the results obtained analytically with oscillator occupations. Total energies, hole--energies, elastic charge form factors and charge densities and the mathematical Coulomb sum r…
The self-energy of the Dirac Brueckner-Hartree-Fock calculation in nuclear matter is parametrized by introducing density-dependent coupling constants of isoscalar mesons in the relativistic Hartree-Fock (RHF) approach where isoscalar meson $σ$ , $ω$ and isovector meson $π$, $ρ$ contributions are included. The RHF calculations with density dependent coupling constants obtained in this way not only reproduce the nuclear matter saturation properties , but also provide the self-energy with an appropriate density dependence. The relativistic density dependent Hartree-Fock (RDHF) approach contains t…
The contribution of the spin-orbit interaction in Hartree-Fock calculations for closed shell nuclei is studied. We obtain explicit expressions for the finite range spin-orbit force. New terms with respect to the traditional spin-orbit expressions are found. The importance of the finite-range is analyzed. Results obtained with spin-orbit terms taken from realistic interactions are presented. The effect of the spin-orbit isospin dependent terms is evaluated.
Octupole vibrations are studied in some doubly magic nuclei using the time-dependent Hartree-Fock (TDHF) theory with a Skyrme energy density functional. Through the use of the linear response theory, the energies and transition amplitudes of the low-lying vibrational modes for each of the nuclei were determined. Energies were found to be close to experimental results. However, transition amplitudes, quantified by the deformation parameter $β_3$, are underestimated by TDHF. A comparison with single-particle excitations on the Hartree-Fock ground-state shows that the collective octupole vibratio…
Properties of density-dependent contact pairing interactions in nuclei are discussed. It is shown that the pairing interaction that is intermediate between surface and volume pairing forces gives the pairing gaps that are compatible with the experimental odd-even mass staggering. Results of the deformed Hartree-Fock-Bogoliubov calculations for this `mixed' pairing interaction, and using the transformed harmonic oscillator basis, are presented.
High-spin structure of ^{32}S is investigated by means of the cranked Skyrme-Hartree-Fock method in the three-dimensional Cartesian-mesh representation. Some interesting suggestions are obtained: 1) An internal structure change (toward hyperdeformation) may occur at I>20 in the superdeformed band, 2) A non-axial Y_{31} deformed band may appear in the yrast line with 4<I<14.
We calculate positions of one- and two-particle, proton and neutron drip lines within the Hartree-Fock-Bogoliubov theory using Skyrme interaction. We also determine an approximate $r$-process path defined as a line where the neutron binding energy is equal to 2~MeV. A weakening of the nuclear shell structure at drip lines is found and interpreted as resulting from a coupling with continuum states.
Single-particle resonant states, also called Gamow states, as well as bound and scattering states of complex energy form a complete set, the Berggren completeness relation. It is the building block of the recently introduced Gamow Shell Model, where weakly bound and resonant nuclear wave functions are expanded with a many-body basis of Slater Determinants generated by this set of single-particle states. However, Gamow states have never been studied in the context of Hartree-Fock-Bogoliubov theory, except in the Bardeen-Cooper-Schriefer (BCS) approximation, where both the upper and lower compon…
On the basis of the cranked Skyrme-Hartree-Fock calculations in the three-dimensional coordinate-mesh representation, we suggest that, in addition to the well-known candidate 32S, the neutron-rich nucleus 36S and the drip-line nuclei,48S and 50S, are also good candidates for finding superdeformed rotational bands in Sulfur isotopes. Calculated density distributions for the superdeformed states in 48S and 50S exhibit superdeformed neutron skins
In this work we test the validity of a Hartree-Fock plus Bardeen-Cooper-Schrieffer model in which a finite-range interaction is used in the two steps of the calculation by comparing the results obtained to those found in a fully self-consistent Hartree-Fock-Bogoliubov calculations using the same interaction.Specifically, we consider the Gogny-type D1S and D1M forces. We study a wide range of spherical nuclei, far from the stability line, in various regions of the nuclear chart, from oxygen to tin isotopes. We calculate various quantities related to the ground state properties of these nuclei, …
We have studied odd-even nuclear mass staggering with the Skyrme-Hartree-Fock-Bogoliubov theory by employing isoscalar and isovector contact pairing interactions. By reproducing the empirical odd-even mass differences of the Sn isotopic chain, the strengths of pairing interactions are determined. The optimal strengths adjusted in this work can give better description of odd-even mass differences than that fitted by reproducing the experimental neutron pairing gap of $^{120}$Sn.
We describe a method of solving the nuclear Skyrme-Hartree-Fock problem by using a deformed Cartesian harmonic oscillator basis. The complete list of expressions required to calculate local densities, total energy, and self-consistent fields is presented, and an implementation of the self-consistent symmetries is discussed. Formulas to calculate matrix elements in the Cartesian harmonic oscillator basis are derived for the nuclear and Coulomb interactions.
Recently, we developed a mean-field-type framework which treats the correlation induced by the tensor force. To exploit the tensor correlation we introduce single-particle states with the parity and charge mixing. To make a total wave function have a definite charge number and a good parity, the charge number and parity projections are performed. Taking a variation of the projected wave function with respect to single-particle states a Hartree-Fock-like equation, the charge- and parity-projected Hartree-Fock equation, is obtained. In the charge- and parity-projected Hartree-Fock method, we sol…
In a relativistic Brueckner-Hartree-Fock calculation we include explicit negative-energy states in the two-body propagator. This is achieved by using the Gross spectator-equation, modified by medium effects. Qualitatively our results compare well with other RBHF calculations. In some details significant differences occur, e.g, our equation of state is stiffer and the momentum dependence of the self-energy components is stronger than found in a reference calculation without intermediate negative energy states.
We present the first realization of Stochastic TDHF, a theory which goes beyond pure mean-field dynamics, embracing dissipation as well as fluctuations. Applications to heavy-ion collisions in the Fermi energy domain are given and analyzed in terms of dissipative features and Intermediate Mass Fragment production.
The properties of kaonic nuclei are studied using a two-dimensional Skyrme-Hartree-Fock model with a $KN$ Skyrme force. We focus in particular on the instability of the solutions for a too strong $KN$ interaction, which determines a maximum value of the kaon binding in this approach. We then analyze the change of the deformation properties of several core-deformed nuclei caused by the added kaon, and find a shrinking of the core and in some cases a complete loss of deformation.
Self-consistent Skyrme Hartree-Fock plus BCS calculations are performed to generate potential energy curves (PEC) in various chains of Pd, Xe, Ba, Nd, Sm, Gd, and Dy isotopes. The evolution of shapes with the number of nucleons is studied in a search for signatures of E(5) and X(5) critical point symmetries. It is shown that the energy barriers in the PECs are determined to a large extent by the treatment of the pairing correlations.
Hartree-Fock calculations with the SKX Skyrme interaction are carried out to obtain alpha-decay Q values for deformed nuclei above $^{208}$Pb assuming axial symmetry. The results for even-even nuclei are compared with experiment and with previous calculations. Predictions are made for alpha-decay Q values and half-lives of even-even super-heavy nuclei. The results are also compared for the recently discovered odd-even chain starting at Z=112 and N=165.
A particle-number projection technique is used to calculate transfer probabilities in the $^{16}$O+$^{208}$Pb reaction below the fusion barrier. The time evolution of the many-body wave function is obtained with the time-dependent Hartree-Fock (TDHF) mean-field theory. The agreement with experimental data for the sum of the proton-transfer channels is good, considering that TDHF has no parameter adjusted on reaction mechanism. Some perspectives for extensions beyond TDHF to include cluster-transfers are discussed.
We benchmark angular-momentum projected{-after-variation} Hartree-Fock calculations as an approximation to full configuration-interaction results in a shell model basis. For such a simple approximation we find reasonably good agreement between excitation spectra, including for many odd-$A$ and odd-odd nuclides. We frequently find shape coexistence, in the form of multiple Hartree-Fock minima; {mixing in shape coexistence, the first step beyond single-reference projected Hartree-Fock}, demonstrably improves the spectrum in the $sd$- and $pf$-shells. The complex spectra of germanium isotopes pre…
We investigated the role of a pairing correlation in the chemical composition of the inner crust of a neutron star with the extended Thomas-Fermi method, using the Strutinsky integral correction. We compare our results with the fully self-consistent Hartree-Fock-Bogoliubov approach, showing that the resulting discrepancy, apart from the very low density region, is compatible with the typical accuracy we can achieve with standard mean-field methods.
Two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei are discussed using realistic One-Boson-Exchange potentials. In a first scheme, the effects of correlations are deduced from a study of nuclear matter and parameterized in terms of an effective $σ$, $ω$ and $π$ exchange. Employing this effective interaction relativistic Hartree-Fock equations are solved for finite nuclei \osi , \caf\ and \cafe . In the second approach the effect of correlations are treated in the Brueckner-Hartree-Fock approximation directl…
Properties of strongly interacting, two-component finite Fermi systems are discussed within the recently developed coordinate-space Hartree-Fock-Bogoliubov (HFB) code {\hfbax}. Two illustrative examples are presented: (i) weakly bound deformed Mg isotopes, and (ii) spin-polarized atomic condensates in a strongly deformed harmonic trap.
The impact of Hartree-Fock correlations on the nuclear momentum distribution is studied in a fully relativistic one boson exchange model. Hartree-Fock equations are exactly solved to first order in the coupling constants. The renormalization of the Dirac spinors in the medium is shown to affect the momentum distribution, as opposed to what happens in the non-relativistic case. The unitarity of the model is shown to be preserved by the present renormalization procedure.
We study the properties of hot neutrino-trapped beta-stable stellar matter using an equation of state of nuclear matter within the Brueckner-Hartree-Fock approach including three-body forces, combined with a standard chiral model for kaon condensation at finite temperature. The properties of (proto)neutron stars are then investigated within this framework.
We study the linear sigma model with O(N) symmetry at nonzero temperature in the framework of the Cornwall-Jackiw-Tomboulis formalism. Extending the set of two-particle irreducible diagrams by adding sunset diagrams to the usual Hartree-Fock contributions, we derive a new approximation scheme which extends the standard Hartree-Fock approximation by the inclusion of nonzero decay widths. In this approximation, in-medium modifications of the meson masses as well as decay and collisional broadening effects are selfconsistently taken into account. As compared to the standard Hartree-Fock approxima…
We generalize the Cramer's rule of linear algebra. We apply it to calculate the spectra of nucleus by applying Hill-Wheeler projection operator to Hartree-Fock wave function, and to derive Löwdin formula and Thouless theorem. We derive by an elementary method the infinitesimal or Löwdin projection operators and its integral representation to be useful for the projection of Slater determinant.
