A finite-temperature Hartree–Fock code for shell-model Hamiltonians

Journal Article · Thu Jul 14 00:00:00 EDT 2016 · Computer Physics Communications

DOI:https://doi.org/10.1016/j.cpc.2016.06.023· OSTI ID:1533695

Bertsch, G. F. ^[1]; Mehlhaff, J. M. ^[1]

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1. University of Washington, Seattle, WA (United States)

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 (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain the minimization by adding it to the single-particle Hamiltonian with a Lagrange multiplier. One can also constrain its expectation value in the zero-temperature code. Also the orbital filling can be constrained in the zero-temperature code, fixing the number of nucleons having given $K^π$ quantum numbers. So, this is particularly useful to resolve near-degeneracies among distinct minima.

• Research Organization: Univ. of Washington, Seattle, WA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• Grant/Contract Number: FG02-00ER41132
• OSTI ID: 1533695
• Alternate ID(s): OSTI ID: 1358996
• Journal Information: Computer Physics Communications, Vol. 207, Issue C; ISSN 0010-4655
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS
Hartree–Fock
shell model
gradient method
nuclear levels
nuclear structure