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Title: Microscopically based energy density functionals for nuclei using the density matrix expansion: Implementation and pre-optimization

In a recent series of articles, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the density matrix expansion (DME) to the Hartree-Fock energy obtained from chiral effective field theory two- and three-nucleon interactions. Owing to the structure of the chiral interactions, each coupling in the DME functional is given as the sum of a coupling constant arising from zero-range contact interactions and a coupling function of the density arising from the finite-range pion exchanges. Because the contact contributions have essentially the same structure as those entering empirical Skyrme functionals, a microscopically guided Skyrme phenomenology has been suggested in which the contact terms in the DME functional are released for optimization to finite-density observables to capture short-range correlation energy contributions from beyond Hartree-Fock. The present article is the first attempt to assess the ability of the newly suggested DME functional, which has a much richer set of density dependencies than traditional Skyrme functionals, to generate sensible and stable results for nuclear applications. The results of the first proof-of-principle calculations are given, and numerous practical issues related to the implementation of the new functional in existing Skyrme codes are discussed. Using a restricted singular value decompositionmore » optimization procedure, it is found that the new DME functional gives numerically stable results and exhibits a small but systematic reduction of our test {chi}{sup 2} function compared to standard Skyrme functionals, thus justifying its suitability for future global optimizations and large-scale calculations.« less
Authors:
; ;  [1] ; ;  [2] ;  [3] ;  [2] ;  [3] ;  [4] ;  [5]
  1. Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States) and Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
  2. National Superconducting Cyclotron Laboratory, 1 Cyclotron Laboratory, East Lansing, Michigan 48824 (United States)
  3. (United States)
  4. (France)
  5. Department of Physics, Ohio State University, Columbus, Ohio 43210 (United States)
Publication Date:
OSTI Identifier:
21499165
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. C, Nuclear Physics; Journal Volume: 82; Journal Issue: 5; Other Information: DOI: 10.1103/PhysRevC.82.054307; (c) 2010 The American Physical Society
Country of Publication:
United States
Language:
English
Subject:
73 NUCLEAR PHYSICS AND RADIATION PHYSICS; CAPTURE; CHIRALITY; COUPLING; COUPLING CONSTANTS; DENSITY; DENSITY FUNCTIONAL METHOD; DENSITY MATRIX; ELECTRON CORRELATION; ENERGY DENSITY; FIELD THEORIES; FUNCTIONALS; HARTREE-FOCK METHOD; INTERACTIONS; NUCLEAR ENERGY; NUCLEI; NUCLEONS; OPTIMIZATION; PIONS; SKYRME POTENTIAL APPROXIMATIONS; BARYONS; BOSONS; CALCULATION METHODS; CORRELATIONS; ELEMENTARY PARTICLES; ENERGY; FERMIONS; FUNCTIONS; HADRONS; MATRICES; MESONS; NUCLEON-NUCLEON POTENTIAL; PARTICLE PROPERTIES; PHYSICAL PROPERTIES; POTENTIALS; PSEUDOSCALAR MESONS; VARIATIONAL METHODS