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Axially-deformed solution of the Skyrme-Hartree-Fock-Bogoliubov equations using the transformed harmonic oscillator basis (IV) hfbtho (v4.0): A new version of the program
We describe the new version 4.0 of the code hfbtho that solves the nuclear Hartree-Fock-Bogoliubov problem by using the deformed harmonic oscillator basis in cylindrical coordinates. In the new version, we have implemented the restoration of rotational, particle number, and reflection symmetry for e...
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Published in: | Computer physics communications 2022-07, Vol.276, p.108367, Article 108367 |
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Main Authors: | , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | We describe the new version 4.0 of the code hfbtho that solves the nuclear Hartree-Fock-Bogoliubov problem by using the deformed harmonic oscillator basis in cylindrical coordinates. In the new version, we have implemented the restoration of rotational, particle number, and reflection symmetry for even-even nuclei. The restoration of rotational symmetry does not require using bases closed under rotation. Furthermore, we added the SeaLL1 functional and improved the calculation of the Coulomb potential. Finally, we refactored the code to facilitate maintenance and future developments.
Program title:hfbtho v4.0
CPC Library link to program files:https://doi.org/10.17632/c5g2f92by3.2
Code Ocean capsule:https://codeocean.com/capsule/5389629
Licensing provisions: GPLv3
Programming language: Fortran 2003
Journal reference of previous version: R.N. Pérez, N. Schunck, R.-D. Lasseri, C. Zhang and J. Sarich, Comput. Phys. Commun. 220 (2017) 363
Does the new version supersede the previous version: Yes
Reasons for the new version: This version adds new capabilities to restore broken symmetries and determine corresponding quantum numbers of even-even nuclei
Summary of revisions:1.Angular momentum projection for even-even nuclei in a deformed basis;2.Particle number projection for even-even nuclei in the quasiparticle basis;3.Implementation of the SeaLL1 functional;4.Expansion of the Coulomb potential onto Gaussians;5.MPI-parallelization of a single hfbtho execution;6.Code refactoring.
Nature of problem:hfbtho is a physics computer code that is used to model the structure of the nucleus. It is an implementation of the energy density functional (EDF) approach to atomic nuclei, where the energy of the nucleus is obtained by integration over space of some phenomenological energy density, which is itself a functional of the neutron and proton intrinsic densities. In the present version of hfbtho, the energy density is derived either from the zero-range Skyrme or the finite-range Gogny effective two-body interaction between nucleons. Nuclear superfluidity is treated at the Hartree-Fock-Bogoliubov (HFB) approximation. Constraints on the nuclear shape allow probing the potential energy surface of the nucleus as needed, e.g., for the description of shape isomers or fission. A local scale transformation of the single-particle basis in which the HFB solutions are expanded provides a tool to properly compute the structure of weakly-bound nuclei. Restoration of the rotational, partic |
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ISSN: | 0010-4655 1879-2944 |
DOI: | 10.1016/j.cpc.2022.108367 |