arXiv subjects

M. V. Stoitsov

Publications and source records attributed to M. V. Stoitsov.

At least 19 recordsLinked to original sources

arXiv2014

Lipkin method of particle-number restoration to higher orders

Background: On the mean-field level, pairing correlations are incorporated through the Bogoliubov-Valatin transformation, whereupon the particle degrees of freedom are replaced by quasiparticles. This approach leads to a spontaneous breaking of the particle-number symmetry and mixing of states with different particle numbers. In order to restore the particle number, various methods have been employed, which are based on projection approaches before or after variation. Approximate variation-after-projection (VAP) schemes, utilizing the Lipkin method, have mostly been used within the Lipkin-Nogami prescription. Purpose: Without recurring to the Lipkin-Nogami prescription, and using instead states rotated in the gauge space, we derive the Lipkin method of particle-number restoration up to sixth order and we test the convergence and accuracy of the obtained expansion. Methods: We perform self-consistent calculations using the higher-order Lipkin method to restore the particle-number symmetry in the framework of superfluid nuclear energy-density functional theory. We also apply the Lipkin method to a schematic exactly solvable two-level pairing model. Results: Calculations performed in open-shell tin and lead isotopes show that the Lipkin method converges at fourth order and satisfactorily reproduces the VAP ground-state energies and energy kernels. Near closed shells, the higher-order Lipkin method cannot be applied because of a non-analytic kink in the ground-state energies in function of the particle number. Conclusions: In open-shell nuclei, the higher-order Lipkin method provides a good approximation to the exact VAP energies. The method is computationally inexpensive, making it particularly suitable, for example, for future optimizations of the nuclear energy-density functionals and simultaneous restoration of different symmetries.

nucl-th↗

arXiv2013

Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis (II) HFBTHO v2.00d: a new version of the program

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

nucl-th↗

arXiv2011

Nuclear energy density optimization: Large deformations

A new Skyrme-like energy density suitable for studies of strongly elongated nuclei has been determined in the framework of the Hartree-Fock-Bogoliubov theory using the recently developed model-based, derivative-free optimization algorithm POUNDerS. A sensitivity analysis at the optimal solution has revealed the importance of states at large deformations in driving the parameterization of the functional. The good agreement with experimental data on masses and separation energies, achieved with the previous parameterization UNEDF0, is largely preserved. In addition, the new energy density UNEDF1 gives a much improved description of the fission barriers in 240Pu and neighboring nuclei.

nucl-th↗

arXiv2010

Nuclear Energy Density Optimization

We carry out state-of-the-art optimization of a nuclear energy density of Skyrme type in the framework of the Hartree-Fock-Bogoliubov (HFB) theory. The particle-hole and particle-particle channels are optimized simultaneously, and the experimental data set includes both spherical and deformed nuclei. The new model-based, derivative-free optimization algorithm used in this work has been found to be significantly better than standard optimization methods in terms of reliability, speed, accuracy, and precision. The resulting parameter set UNEDFpre results in good agreement with experimental masses, radii, and deformations and seems to be free of finite-size instabilities. An estimate of the reliability of the obtained parameterization is given, based on standard statistical methods. We discuss new physics insights offered by the advanced covariance analysis.

nucl-th↗

arXiv2010

Natural Units For Nuclear Energy Density Functional Theory

Naive dimensional analysis based on chiral effective theory, when adapted to nuclear energy density functionals, prescribes natural units and a hierarchy of contributions that could be used to constrain fits of generalized functionals. By applying these units, a large sample of Skyrme parametrizations is examined for naturalness, which is signaled by dimensionless coupling constants of order one. The bulk of the parameters are found to be natural, with an underlying scale consistent with other determinations. Significant deviations from unity are associated with deficiencies in the corresponding terms of particular functionals or with an incomplete optimization procedure.

nucl-th↗

arXiv2010

One-quasiparticle States in the Nuclear Energy Density Functional Theory

We study one-quasiproton excitations in the rare-earth region in the framework of the nuclear Density Functional Theory in the Skyrme-Hartree-Fock-Bogoliubov variant. The blocking prescription is implemented exactly, with the time-odd mean field fully taken into account. The equal filling approximation is compared with the exact blocking procedure. We show that both procedures are strictly equivalent when the time-odd channel is neglected, and discuss how nuclear alignment properties affect the time-odd fields. The impact of time-odd fields on calculated one-quasiproton bandhead energies is found to be rather small, of the order of 100-200 keV; hence, the equal filling approximation is sufficiently precise for most practical applications. The triaxial polarization of the core induced by the odd particle is studied. We also briefly discuss the occurrence of finite-size spin instabilities that are present in calculations for odd-mass nuclei when certain Skyrme functionals are employed.

nucl-th↗

arXiv2008

Odd-even mass differences from self-consistent mean-field theory

We survey odd-even nuclear binding energy staggering using density functional theory with several treatments of the pairing interaction including the BCS, Hartree-Fock-Bogoliubov, and the Hartree-Fock-Bogoliubov with the Lipkin-Nogami approximation. We calculate the second difference of binding energies and compare with 443 measured neutron energy differences in isotope chains and 418 measured proton energy differences in isotone chains. The particle-hole part of the energy functional is taken as the SLy4 Skyrme parametrization and the pairing part of the functional is based on a contact interaction with possible density dependence. An important feature of the data, reproduced by the theory, is the sharp gap quenching at magic numbers. With the strength of the interaction as a free parameter, the theory can reproduce the data to an rms accuracy of about 0.25 MeV. This is slightly better than a single-parameter phenomenological description but slightly poorer than the usual two-parameter phenomenological form C/A^alpha . The following conclusions can be made about the performance of common parametrization of the pairing interaction: (i) there is a weak preference for a surface-peaked neutron-neutron pairing, which might be attributable to many-body effects; (ii) a larger strength is required in the proton pairing channel than in the neutron pairing channel; (iii) pairing strengths adjusted to the well-known spherical isotope chains are too weak to give a good overall fit to the mass differences.

nucl-th↗

arXiv2008

Deformed Coordinate-Space Hartree-Fock-Bogoliubov Approach to Weakly Bound Nuclei and Large Deformations

The coordinate space formulation of the Hartree-Fock-Bogoliubov (HFB) method enables self-consistent treatment of mean-field and pairing in weakly bound systems whose properties are affected by the particle continuum space. Of particular interest are neutron-rich, deformed drip-line nuclei which can exhibit novel properties associated with neutron skin. To describe such systems theoretically, we developed an accurate 2D lattice Skyrme-HFB solver {\hfbax} based on B-splines. Compared to previous implementations, we made a number of improvements aimed at boosting the solver's performance. These include: explicit imposition of axiality and space inversion, use of the modified Broyden's method to solve self-consistent equations, and a partial parallelization of the code. {\hfbax} has been benchmarked against other HFB solvers, both spherical and deformed, and the accuracy of the B-spline expansion was tested by employing the multiresolution wavelet method. Illustrative calculations are carried out for stable and weakly bound nuclei at spherical and very deformed shapes, including constrained fission pathways. In addition to providing new physics insights, {\hfbax} can serve as a useful tool to assess the reliability and applicability of coordinate-space and configuration-space HFB solvers, both existing and in development.

nucl-th↗

arXiv2007

Fast computation of the Gauss hypergeometric function with all its parameters complex with application to the Poschl-Teller-Ginocchio potential wave functions

The fast computation of the Gauss hypergeometric function 2F1 with all its parameters complex is a difficult task. Although the 2F1 function verifies numerous analytical properties involving power series expansions whose implementation is apparently immediate, their use is thwarted by instabilities induced by cancellations between very large terms. Furthermore, small areas of the complex plane are inaccessible using only 2F1 power series formulas, thus rendering 2F1 evaluations impossible on a purely analytical basis. In order to solve these problems, a generalization of R.C. Forrey's transformation theory has been developed. The latter has been successful in treating the 2F1 function with real parameters. As in real case transformation theory, the large canceling terms occurring in 2F1 analytical formulas are rigorously dealt with, but by way of a new method, directly applicable to the complex plane. Taylor series expansions are employed to enter complex areas outside the domain of validity of power series analytical formulas. The proposed algorithm, however, becomes unstable in general when |a|,|b|,|c| are moderate or large. As a physical application, the calculation of the wave functions of the analytical Poschl-Teller-Ginocchio potential involving 2F1 evaluations is considered.

math-ph↗

arXiv2007

Particle-Number Projection and the Density Functional Theory

In the framework of the Density Functional Theory for superconductors, we study the restoration of the particle number symmetry by means of the projection technique. Conceptual problems are outlined and numerical difficulties are discussed. Both are related to the fact that neither the many-body Hamiltonian nor the wave function of the system appear explicitly in the Density Functional Theory. Similar obstacles are encountered in self-consistent theories utilizing density-dependent effective interactions.

nucl-th↗

arXiv2006

Variation after Particle-Number Projection for the HFB Method with the Skyrme Energy Density Functional

Variation after particle-number restoration is incorporated for the first time into the Hartree-Fock-Bogoliubov framework employing the Skyrme energy density functional with zero-range pairing. The resulting projected HFB equations can be expressed in terms of the local gauge-angle-dependent densities. Results of projected calculations are compared with those obtained within the Lipkin-Nogami method in the standard version and with the Lipkin-Nogami method followed by exact particle-number projection.

nucl-th↗

arXiv2006

Pairing renormalization and regularization within the local density approximation

We discuss methods used in mean-field theories to treat pairing correlations within the local density approximation. Pairing renormalization and regularization procedures are compared in spherical and deformed nuclei. Both prescriptions give fairly similar results, although the theoretical motivation, simplicity, and stability of the regularization procedure makes it a method of choice for future applications.

nucl-th↗

arXiv2006

Large-Scale Self-Consistent Nuclear Mass Calculations

The program of systematic large-scale self-consistent nuclear mass calculations that is based on the nuclear density functional theory represents a rich scientific agenda that is closely aligned with the main research directions in modern nuclear structure and astrophysics, especially the radioactive nuclear beam physics. The quest for the microscopic understanding of the phenomenon of nuclear binding represents, in fact, a number of fundamental and crucial questions of the quantum many-body problem, including the proper treatment of correlations and dynamics in the presence of symmetry breaking. Recent advances and open problems in the field of nuclear mass calculations are presented and discussed.

nucl-th↗

arXiv2004

Axially Deformed Solution of the Skyrme-Hartree-Fock-Bogolyubov Equations using The Transformed Harmonic Oscillator Basis. The program HFBTHO (v1.66p)

We describe the program HFBTHO for axially deformed configurational Hartree-Fock-Bogoliubov calculations with Skyrme-forces and zero-range pairing interaction using Harmonic-Oscillator and/or Transformed Harmonic-Oscillator states. The particle-number symmetry is approximately restored using the Lipkin-Nogami prescription, followed by an exact particle number projection after the variation. The program can be used in a variety of applications, including systematic studies of wide ranges of nuclei, both spherical and axially deformed, extending all the way out to nucleon drip lines.

nucl-th↗

arXiv2004

Skyrme-HFB deformed nuclear mass table

The Skyrme-Hartree-Fock-Bogoliubov code HFBTHO using the axial (2D) Transformed Harmonic Oscillator basis is tested against the HFODD (3D Cartesian HO basis) and HFBRAD (radial coordinate) codes. Results of large-scale ground-state calculations are presented for the SLy4 and SkP interactions.

nucl-th↗

arXiv2004

Structure of Exotic Nuclei

The progress in the modeling of exotic nuclei with an extreme neutron-to-proton ratio is discussed. Two topics are emphasized: (i) the quest for the universal microscopic nuclear energy density functional and (ii) the progress in the continuum shell model.

nucl-th↗

arXiv2003

Systematic study of deformed nuclei at the drip lines and beyond

An improved prescription for choosing a transformed harmonic oscillator (THO) basis for use in configuration-space Hartree-Fock-Bogoliubov (HFB) calculations is presented. The new HFB+THO framework that follows accurately reproduces the results of coordinate-space HFB calculations for spherical nuclei, including those that are weakly bound. Furthermore, it is fully automated, facilitating its use in systematic investigations of large sets of nuclei throughout the periodic table. As a first application, we have carried out calculations using the Skyrme Force SLy4 and volume pairing, with exact particle number projection following application of the Lipkin-Nogami prescription. Calculations were performed for all even-even nuclei from the proton drip line to the neutron drip line having proton numbers Z=2,4,...,108 and neutron numbers N=2,4,...,188. We focus on nuclei near the neutron drip line and find that there exist numerous particle-bound even-even nuclei (i.e., nuclei with negative Fermi energies) that have at the same time negative two-neutron separation energies. This phenomenon, which was earlier noted for light nuclei, is attributed to bound shape isomers beyond the drip line.

nucl-th↗

arXiv2002

DMRG Study of Critical Behavior of the Spin-1/2 Alternating Heisenberg Chain

We investigate the critical behavior of the S=1/2 alternating Heisenberg chain using the density matrix renormalization group (DMRG). The ground-state energy per spin and singlet-triplet energy gap are determined for a range of alternations. Our results for the approach of the ground-state energy to the uniform chain limit are well described by a power law with exponent p=1.45. The singlet-triplet gap is also well described by a power law, with a critical exponent of p=0.73, half of the ground-state energy exponent. The renormalization group predictions of power laws with logarithmic corrections can also accurately describe our data provided that a surprisingly large scale parameter is present in the logarithm.

cond-mat.stat-mech↗