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

Bertsch, G. F.; Mehlhaff, J. M.

doi:10.1016/j.cpc.2016.06.023

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

Abstract

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.

Authors:

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

University of Washington, Seattle, WA (United States)

Publication Date:: Thu Jul 14 00:00:00 EDT 2016

Research Org.:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1533695

Alternate Identifier(s):: OSTI ID: 1358996

Grant/Contract Number:: FG02-00ER41132

Resource Type:: Accepted Manuscript

Journal Name:: Computer Physics Communications

Additional Journal Information:: Journal Volume: 207; Journal Issue: C; Journal ID: ISSN 0010-4655

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

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

Citation Formats


                    Bertsch, G. F., and Mehlhaff, J. M. A finite-temperature Hartree–Fock code for shell-model Hamiltonians.  United States: N. p., 2016. 
Web.  doi:10.1016/j.cpc.2016.06.023.

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                    Bertsch, G. F., & Mehlhaff, J. M. A finite-temperature Hartree–Fock code for shell-model Hamiltonians.  United States.  https://doi.org/10.1016/j.cpc.2016.06.023

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                    Bertsch, G. F., and Mehlhaff, J. M. Thu .  
"A finite-temperature Hartree–Fock code for shell-model Hamiltonians".  United States.  https://doi.org/10.1016/j.cpc.2016.06.023.  https://www.osti.gov/servlets/purl/1533695.

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@article{osti_1533695,

  title        = {A finite-temperature Hartree–Fock code for shell-model Hamiltonians},

  author       = {Bertsch, G. F. and Mehlhaff, J. M.},

  abstractNote = {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.},

  doi          = {10.1016/j.cpc.2016.06.023},

  journal      = {Computer Physics Communications},

  number       = C,

  volume       = 207,

  place        = {United States},

  year         = {Thu Jul 14 00:00:00 EDT 2016},

  month        = {Thu Jul 14 00:00:00 EDT 2016}

}

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Works referenced in this record:

Crossover from Vibrational to Rotational Collectivity in Heavy Nuclei in the Shell-Model Monte Carlo Approach
journal, January 2013

Özen, C.; Alhassid, Y.; Nakada, H.
Physical Review Letters, Vol. 110, Issue 4
DOI: 10.1103/PhysRevLett.110.042502

Benchmarking mean-field approximations to level densities
journal, April 2016

Alhassid, Y.; Bertsch, G. F.; Gilbreth, C. N.
Physical Review C, Vol. 93, Issue 4
DOI: 10.1103/PhysRevC.93.044320

Heavy Deformed Nuclei in the Shell Model Monte Carlo Method
journal, August 2008

Alhassid, Y.; Fang, L.; Nakada, H.
Physical Review Letters, Vol. 101, Issue 8
DOI: 10.1103/PhysRevLett.101.082501

Broyden's method in nuclear structure calculations
journal, July 2008

Baran, Andrzej; Bulgac, Aurel; Forbes, Michael McNeil
Physical Review C, Vol. 78, Issue 1
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Self-consistent calculations of fission barriers in the Fm region
journal, July 2002

Warda, M.; Egido, J. L.; Robledo, L. M.
Physical Review C, Vol. 66, Issue 1
DOI: 10.1103/PhysRevC.66.014310

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

Abstract

Citation Formats

Crossover from Vibrational to Rotational Collectivity in Heavy Nuclei in the Shell-Model Monte Carlo Approach journal, January 2013

Benchmarking mean-field approximations to level densities journal, April 2016

Heavy Deformed Nuclei in the Shell Model Monte Carlo Method journal, August 2008

Broyden's method in nuclear structure calculations journal, July 2008

Self-consistent calculations of fission barriers in the Fm region journal, July 2002

Crossover from Vibrational to Rotational Collectivity in Heavy Nuclei in the Shell-Model Monte Carlo Approach
journal, January 2013

Benchmarking mean-field approximations to level densities
journal, April 2016

Heavy Deformed Nuclei in the Shell Model Monte Carlo Method
journal, August 2008

Broyden's method in nuclear structure calculations
journal, July 2008

Self-consistent calculations of fission barriers in the Fm region
journal, July 2002