Nuclear energy density optimization: Shell structure

Kortelainen, M.; McDonnell, J.; Nazarewicz, W.; Olsen, E.; Reinhard, P. -G.; Sarich, J.; Schunck, N.; Wild, S. M.; Davesne, D.; Erler, J.; Pastore, A.

doi:10.1103/physrevc.89.054314

Title: Nuclear energy density optimization: Shell structure

Journal Article · Thu May 15 00:00:00 EDT 2014 · Physical Review. C. Nuclear Physics

DOI:https://doi.org/10.1103/physrevc.89.054314· OSTI ID:1565207

Kortelainen, M. ^[1]; McDonnell, J. ^[2]; Nazarewicz, W. ^[3]; Olsen, E. ^[4]; Reinhard, P. -G. ^[5]; Sarich, J. ^[6]; Schunck, N. ^[2]; Wild, S. M. ^[6]; Davesne, D. ^[7]; Erler, J. ^[8]; Pastore, A. ^[9]

Univ. of Jyväskylä, Jyväskylä (Finland). Dept. of Physics; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Physics Division
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Physics Division; Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Physics Division; Warsaw Univ., Warsaw (Poland). Inst. of Theoretical Physics
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy
Univ. Erlangen, Erlangen (Germany). Inst. für Theoretische Physik
Argonne National Lab. (ANL), Argonne, IL (United States). Mathematics and Computer Science Division
Univ. de Lyon, Lyon (France); Univ. de Lyon, Villeurbanne (France); Inst. de Physique Nucléaire de Lyon, Lyon (France)
German Cancer Research Center (DKFZ), Heidelberg (Germany). Division of Biophysics of Macromolecules
Univ. Libre de Bruxelles, Brussels (Belgium). Inst. d'Astronomie et d'Astrophysique

Nuclear density functional theory is the only microscopical theory that can be applied throughout the entire nuclear landscape. Its key ingredient is the energy density functional. Here, we propose a new parametrization UNEDF2 of the Skyrme energy density functional. The functional optimization is carried out using the POUNDERS optimization algorithm within the framework of the Skyrme Hartree-Fock-Bogoliubov theory. Compared to the previous parametrization UNEDF1, restrictions on the tensor term of the energy density have been lifted, yielding a very general form of the energy density functional up to second order in derivatives of the one-body density matrix. In order to impose constraints on all the parameters of the functional, selected data on single-particle splittings in spherical doubly-magic nuclei have been included into the experimental dataset. The agreement with both bulk and spectroscopic nuclear properties achieved by the resulting UNEDF2 parametrization is comparable with UNEDF1. While there is a small improvement on single-particle spectra and binding energies of closed shell nuclei, the reproduction of fission barriers and fission isomer excitation energies has degraded. As compared to previous UNEDF parametrizations, the parameter confidence interval for UNEDF2 is narrower. In particular, our results overlap well with those obtained in previous systematic studies of the spin-orbit and tensor terms. UNEDF2 can be viewed as an all-around Skyrme EDF that performs reasonably well for both global nuclear properties and shell structure. However, after adding new data aiming to better constrain the nuclear functional, its quality has improved only marginally. These results suggest that the standard Skyrme energy density has reached its limits, and significant changes to the form of the functional are needed.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; AC52-07NA27344; FG02-96ER40963; FG52-09NA29461; SC0008499

OSTI ID:: 1565207

Journal Information:: Physical Review. C. Nuclear Physics, Vol. 89, Issue 5; ISSN 0556-2813

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 155 works

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Isospin-breaking corrections to superallowed Fermi beta-decay in isospin- and angular-momentum-projected nuclear Density Functional Theory Satula, W.; Dobaczewski, J.; Nazarewicz, W. arXiv https://doi.org/10.48550/arxiv.1210.1128	text	January 2012
Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis (II) HFBTHO v2.00d: a new version of the program Stoitsov, M. V.; Schunck, N.; Kortelainen, M. arXiv https://doi.org/10.48550/arxiv.1210.1825	text	January 2012
Energy density functional for nuclei and neutron stars Erler, J.; Horowitz, C. J.; Nazarewicz, W. arXiv https://doi.org/10.48550/arxiv.1211.6292	text	January 2012
Third minima in thorium and uranium isotopes in a self-consistent theory McDonnell, J. D.; Nazarewicz, W.; Sheikh, J. A. arXiv https://doi.org/10.48550/arxiv.1302.1165	text	January 2013
Neutron skin uncertainties of Skyrme energy density functionals Kortelainen, M.; Erler, J.; Nazarewicz, W. arXiv https://doi.org/10.48550/arxiv.1307.4223	text	January 2013
Tensor parameters in Skyrme and Gogny effective interactions: Trends from a ground-state-focused study Grasso, Marcella; Anguiano, Marta arXiv https://doi.org/10.48550/arxiv.1311.3825	text	January 2013
Nuclear ground-state properties from mean-field calculations Dobaczewski, J.; Nazarewicz, W.; Stoitsov, M. V. arXiv https://doi.org/10.48550/arxiv.nucl-th/0203060	text	January 2002
Global study of quadrupole correlation effects Bender, M.; Bertsch, G. F.; Heenen, P. -H. arXiv https://doi.org/10.48550/arxiv.nucl-th/0508052	text	January 2005
From finite nuclei to the nuclear liquid drop: leptodermous expansion based on the self-consistent mean-field theory Reinhard, P. -G.; Bender, M.; Nazarewicz, W. arXiv https://doi.org/10.48550/arxiv.nucl-th/0510039	text	January 2005
Shell Structure of Exotic Nuclei Dobaczewski, J.; Michel, N.; Nazarewicz, W. arXiv https://doi.org/10.48550/arxiv.nucl-th/0701047	text	January 2007

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Contributions of optimized tensor interactions on the binding energies of nuclei Wu, Di; Bai, Chun-Lin; Sagawa, H. Nuclear Science and Techniques, Vol. 31, Issue 2 https://doi.org/10.1007/s41365-020-0727-7	journal	January 2020
Neutron and weak-charge distributions of the 48Ca nucleus Hagen, G.; Ekström, A.; Forssén, C. Nature Physics, Vol. 12, Issue 2 https://doi.org/10.1038/nphys3529	journal	November 2015
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Theoretical uncertainties of the Duflo–Zuker shell-model mass formulae Qi, Chong Journal of Physics G: Nuclear and Particle Physics, Vol. 42, Issue 4 https://doi.org/10.1088/0954-3899/42/4/045104	journal	January 2015
r -process nucleosynthesis: connecting rare-isotope beam facilities with the cosmos Horowitz, C. J.; Arcones, A.; Côté, B. Journal of Physics G: Nuclear and Particle Physics, Vol. 46, Issue 8 https://doi.org/10.1088/1361-6471/ab0849	journal	July 2019
From the microscopic to the macroscopic world: from nucleons to neutron stars Gandolfi, S.; Lippuner, J.; Steiner, A. W. Journal of Physics G: Nuclear and Particle Physics, Vol. 46, Issue 10 https://doi.org/10.1088/1361-6471/ab29b3	journal	August 2019
Energy-weighted sum rule for nuclear density functional theory Hinohara, Nobuo Physical Review C, Vol. 100, Issue 2 https://doi.org/10.1103/physrevc.100.024310	journal	August 2019
Parameter optimization for the latest quark-meson coupling energy-density functional Martinez, K. L.; Thomas, A. W.; Stone, J. R. Physical Review C, Vol. 100, Issue 2 https://doi.org/10.1103/physrevc.100.024333	journal	August 2019
Irregularities in nuclear radii at magic numbers Nakada, H. Physical Review C, Vol. 100, Issue 4 https://doi.org/10.1103/physrevc.100.044310	journal	October 2019
Strength of tensor forces from neutron drops in ab initio relativistic Brueckner-Hartree-Fock theory Wang, Sibo; Tong, Hui; Zhao, Pengwei Physical Review C, Vol. 100, Issue 6 https://doi.org/10.1103/physrevc.100.064319	journal	December 2019
Linear response theory and neutrino mean free path using Brussels-Montreal Skyrme functionals Pastore, A.; Martini, M.; Davesne, D. Physical Review C, Vol. 90, Issue 2 https://doi.org/10.1103/physrevc.90.025804	journal	August 2014
“Sloppy” nuclear energy density functionals: Effective model reduction Nikšić, Tamara; Vretenar, Dario Physical Review C, Vol. 94, Issue 2 https://doi.org/10.1103/physrevc.94.024333	journal	August 2016
Nuclear density-functional theory and fission of super-heavy elements Reinhard, P. -G. The European Physical Journal A, Vol. 54, Issue 2 https://doi.org/10.1140/epja/i2018-12421-x	journal	February 2018
Heavy nuclei: Introduction to density functional theory and variations on the theme⋆ Colò, Gianluca The European Physical Journal Plus, Vol. 133, Issue 12 https://doi.org/10.1140/epjp/i2018-12391-4	journal	December 2018
Correlations among symmetry energy elements in Skyrme models Mondal, C.; Agrawal, B. K.; De, J. N. International Journal of Modern Physics E, Vol. 27, Issue 09 https://doi.org/10.1142/s0218301318500787	journal	September 2018
TDHF Theory and Its Extensions for the Multinucleon Transfer Reaction: A Mini Review Sekizawa, Kazuyuki Frontiers in Physics, Vol. 7 https://doi.org/10.3389/fphy.2019.00020	journal	March 2019
Fusion with exotic nuclei using a microscopic approach Vo-Phuoc, K.; Simenel, C.; Simpson, E. C. EPJ Web of Conferences, Vol. 163 https://doi.org/10.1051/epjconf/201716300062	journal	January 2017
Shell evolution above $Z, N = 50$ within Skyrme density functional theory: The impact of deformation and tensor interactions Shi, Yue Physical Review C, Vol. 95, Issue 3 https://doi.org/10.1103/physrevc.95.034307	journal	March 2017
Neutron Drip Line in the Ca Region from Bayesian Model Averaging Neufcourt, Léo; Cao, Yuchen; Nazarewicz, Witold Physical Review Letters, Vol. 122, Issue 6 https://doi.org/10.1103/PhysRevLett.122.062502	journal	February 2019
Equations of state for supernovae and compact stars Micaela, Oertel,; Matthias, Hempel,; Thomas, Klähn, American Physical Society https://doi.org/10.5451/unibas-ep58112	text	January 2017
Spectroscopic properties of nuclear Skyrme energy density functionals Tarpanov, D.; Dobaczewski, J.; Toivanen, J. arXiv https://doi.org/10.48550/arxiv.1405.4823	text	January 2014
Error Analysis in Nuclear Density Functional Theory Schunck, Nicolas; McDonnell, Jordan D.; Sarich, Jason arXiv https://doi.org/10.48550/arxiv.1406.4383	text	January 2014
The Barcelona-Catania-Paris-Madrid functional with a realistic effective mass Baldo, M.; Robledo, L. M.; Schuck, P. arXiv https://doi.org/10.48550/arxiv.1604.01543	text	January 2016
A Minimal Nuclear Energy Density Functional Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi arXiv https://doi.org/10.48550/arxiv.1708.08771	text	January 2017
Microscopically-based energy density functionals for nuclei using the density matrix expansion: Full optimization and validation Perez, R. Navarro; Schunck, N.; Dyhdalo, A. arXiv https://doi.org/10.48550/arxiv.1801.08615	text	January 2018
Bayesian approach to model-based extrapolation of nuclear observables Neufcourt, Léo; Cao, Yuchen; Nazarewicz, Witold arXiv https://doi.org/10.48550/arxiv.1806.00552	text	January 2018
Correlations among symmetry energy elements in Skyrme models Mondal, C.; Agrawal, B. K.; De, J. N. arXiv https://doi.org/10.48550/arxiv.1809.05354	text	January 2018
Parameter Optimisation for the Latest Quark-Meson Coupling Energy Density Functional Martinez, Kay Marie L.; Thomas, Anthony William; Stone, Jirina R. https://doi.org/10.48550/arxiv.1811.06628		November 2018
Neutron drip line in the Ca region from Bayesian model averaging Neufcourt, Léo; Cao, Yuchen; Nazarewicz, Witold arXiv https://doi.org/10.48550/arxiv.1901.07632	text	January 2019
TDHF Theory and Its Extensions for the Multinucleon Transfer Reaction: a Mini Review Sekizawa, Kazuyuki arXiv https://doi.org/10.48550/arxiv.1902.01616	text	January 2019
Irregularities in nuclear radii at magic numbers Nakada, H. arXiv https://doi.org/10.48550/arxiv.1906.08929	text	January 2019
Beyond the proton drip line: Bayesian analysis of proton-emitting nuclei Neufcourt, Léo; Cao, Yuchen; Giuliani, Samuel arXiv https://doi.org/10.48550/arxiv.1910.12624	text	January 2019
Properties of exotic nuclei and their linkage to the nucleonic interaction Nakada, H. arXiv https://doi.org/10.48550/arxiv.1912.05756	text	January 2019
Spurious finite-size instabilities with Gogny-type interactions Martini, M.; De Pace, A.; Bennaceur, K. arXiv https://doi.org/10.48550/arxiv.1806.02080	text	January 2018
A Fast and Calibrated Computer Model Emulator: An Empirical Bayes Approach Kejzlar, Vojtech; Son, Mookyong; Bhattacharya, Shrijita arXiv https://doi.org/10.48550/arxiv.2008.05021	text	January 2020

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