Axially deformed solution of the Skyrme–Hartree–Fock–Bogolyubov equations using the transformed harmonic oscillator basis. The program HFBTHO (v1.66p)

• Published in: Computer physics communications 2005-04, Vol.167 (1), p.43-63
• Main Authors: Stoitsov, M.V., Dobaczewski, J., Nazarewicz, W., Ring, P.
• Format: Article
• Language: English
• Subjects: Constrained calculations; Coulomb field; Energy surface; Harmonic oscillator; Hartree–Fock; Hartree–Fock–Bogolyubov; Nuclear many-body problem; Nuclear radii; Pairing; Particle number projection; Quadrupole deformation; Quasiparticle spectra; Self-consistent mean-field; Skyrme interaction
• ISSN: 0010-4655; 1879-2944; 1386-9485
• DOI: 10.1016/j.cpc.2005.01.001

We describe the program HFBTHO for axially deformed configurational Hartree–Fock–Bogolyubov 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. Title of the program: HFBTHO (v1.66p) Catalogue number: ADUI Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADUI Licensing provisions: none Computers on which the program has been tested: Pentium-III, Pentium-IV, AMD-Athlon, IBM Power 3, IBM Power 4, Intel Xeon Operating systems: LINUX, Windows Programming language used: FORTRAN-95 Memory required to execute with typical data: 59 MB when using N sh = 20 No. of bits in a word: 64 No. of processors used: 1 Has the code been vectorized?: No No. of bytes in distributed program, including test data, etc.: 195 285 No. of lines in distributed program: 12 058 Distribution format: tar.gz Nature of physical problem: The solution of self-consistent mean-field equations for weakly bound paired nuclei requires a correct description of the asymptotic properties of nuclear quasiparticle wave functions. In the present implementation, this is achieved by using the single-particle wave functions of the Transformed Harmonic Oscillator, which allows for an accurate description of deformation effects and pairing correlations in nuclei arbitrarily close to the particle drip lines. Method of solution: The program uses the axially Transformed Harmonic Oscillator (THO) single-particle basis to expand quasiparticle wave functions. It iteratively diagonalizes the Hartree–Fock–Bogolyubov Hamiltonian based on the Skyrme-forces and zero-range pairing interaction until a self-consistent solution is found. Restrictions on the complexity of the problem: Axial-, time-reversal-, and space-inversion symmetries are assumed. Only quasiparticle vacua of even–even nuclei can be calculated. Typical running time: 4 s per iteration on an Intel Xeon 2.8 GHz processor when using N sh = 20 Unusual features of the program: none