Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus

Ekström, Andreas; Hagen, Gaute

doi:10.1103/PhysRevLett.123.252501

Title: Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus

Journal Article · 19 December 2019 · Physical Review Letters

DOI: https://doi.org/10.1103/PhysRevLett.123.252501 · OSTI ID:1632066

Ekström, Andreas ^[1];

^[2]

Chalmers Univ. of Technology, Goteburg (Sweden)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

We perform a global sensitivity analysis of the binding energy and the charge radius of the nucleus ¹⁶O to identify the most influential low-energy constants in the next-to-next-to-leading order chiral Hamiltonian with two- and three-nucleon forces. For this purpose, we develop a subspace-projected coupled-cluster method using eigenvector continuation [Frame D. et al., Phys. Rev. Lett. 121, 032501 (2018)]. With this method, we compute the binding energy and charge radius of ¹⁶O at more than 106 different values of the 16 low-energy constants in one hour on a standard laptop computer. For relatively small subspace projections, the root-mean-square error is about 1% compared to full-space coupled-cluster results. We find that 58(1)% of the variance in energy can be apportioned to a single contact term in the ³S₁ wave, whereas the radius depends sensitively on several low-energy constants and their higher-order correlations. The results identify the most important parameters for describing nuclear saturation and help prioritize efforts for uncertainty reduction of theoretical predictions. The achieved acceleration opens up an array of computational statistics analyses of the underlying description of the strong nuclear interaction in nuclei across the Segrè chart.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1632066

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 25 Vol. 123; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (60)

Bound states of a many-particle system Coester, F. Nuclear Physics, Vol. 7 https://doi.org/10.1016/0029-5582(58)90280-3	journal	June 1958
Short-range correlations in nuclear wave functions Coester, F.; Kümmel, H. Nuclear Physics, Vol. 17 https://doi.org/10.1016/0029-5582(60)90140-1	journal	June 1960
Many-fermion theory in expS- (or coupled cluster) form Kümmel, H.; Lührmann, K. H.; Zabolitzky, J. G. Physics Reports, Vol. 36, Issue 1 https://doi.org/10.1016/0370-1573(78)90081-9	journal	February 1978
Importance measures in global sensitivity analysis of nonlinear models Homma, Toshimitsu; Saltelli, Andrea Reliability Engineering & System Safety, Vol. 52, Issue 1 https://doi.org/10.1016/0951-8320(96)00002-6	journal	April 1996
Effective field theory of nuclear forces Van Kolck, U. Progress in Particle and Nuclear Physics, Vol. 43 https://doi.org/10.1016/S0146-6410(99)00097-6	journal	January 1999
Global sensitivity indices for nonlinear mathematical models and their Monte Carlo estimates Sobol′, I. M. Mathematics and Computers in Simulation, Vol. 55, Issue 1-3 https://doi.org/10.1016/S0378-4754(00)00270-6	journal	February 2001
Bayesian methods for parameter estimation in effective field theories Schindler, M. R.; Phillips, D. R. Annals of Physics, Vol. 324, Issue 3 https://doi.org/10.1016/j.aop.2008.09.003	journal	March 2009
Variance based sensitivity analysis of model output. Design and estimator for the total sensitivity index Saltelli, Andrea; Annoni, Paola; Azzini, Ivano Computer Physics Communications, Vol. 181, Issue 2 https://doi.org/10.1016/j.cpc.2009.09.018	journal	February 2010
Ground-state properties of 4 He and 16 O extrapolated from lattice QCD with pionless EFT Contessi, L.; Lovato, A.; Pederiva, F. Physics Letters B, Vol. 772 https://doi.org/10.1016/j.physletb.2017.07.048	journal	September 2017
Essential elements for nuclear binding Lu, Bing-Nan; Li, Ning; Elhatisari, Serdar Physics Letters B, Vol. 797 https://doi.org/10.1016/j.physletb.2019.134863	journal	October 2019
Chiral effective field theory and nuclear forces Machleidt, R.; Entem, D. R. Physics Reports, Vol. 503, Issue 1 https://doi.org/10.1016/j.physrep.2011.02.001	journal	June 2011
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian Journal of Chemical Theory and Computation, Vol. 12, Issue 3 https://doi.org/10.1021/acs.jctc.5b01148	journal	February 2016
Ab initio alpha–alpha scattering Elhatisari, Serdar; Lee, Dean; Rupak, Gautam Nature, Vol. 528, Issue 7580 https://doi.org/10.1038/nature16067	journal	December 2015
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
Unexpectedly large charge radii of neutron-rich calcium isotopes Garcia Ruiz, R. F.; Bissell, M. L.; Blaum, K. Nature Physics, Vol. 12, Issue 6 https://doi.org/10.1038/nphys3645	journal	February 2016
Discrepancy between experimental and theoretical β-decay rates resolved from first principles Gysbers, P.; Hagen, G.; Holt, J. D. Nature Physics, Vol. 15, Issue 5 https://doi.org/10.1038/s41567-019-0450-7	journal	March 2019
78Ni revealed as a doubly magic stronghold against nuclear deformation Taniuchi, R.; Santamaria, C.; Doornenbal, P. Nature, Vol. 569, Issue 7754 https://doi.org/10.1038/s41586-019-1155-x	journal	May 2019
Coupled-cluster computations of atomic nuclei Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M. Reports on Progress in Physics, Vol. 77, Issue 9 https://doi.org/10.1088/0034-4885/77/9/096302	journal	September 2014
Bayesian parameter estimation for effective field theories Wesolowski, S.; Klco, N.; Furnstahl, R. J. Journal of Physics G: Nuclear and Particle Physics, Vol. 43, Issue 7 https://doi.org/10.1088/0954-3899/43/7/074001	journal	May 2016
Exploring Bayesian parameter estimation for chiral effective field theory using nucleon–nucleon phase shifts Wesolowski, S.; Furnstahl, R. J.; Melendez, J. A. Journal of Physics G: Nuclear and Particle Physics, Vol. 46, Issue 4 https://doi.org/10.1088/1361-6471/aaf5fc	journal	February 2019
N -electron Slater determinants from nonunitary canonical transformations of fermion operators Jiménez-Hoyos, Carlos A.; Rodríguez-Guzmán, R.; Scuseria, Gustavo E. Physical Review A, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevA.86.052102	journal	November 2012
Coupled-cluster approach to nuclear physics Dean, D. J.; Hjorth-Jensen, M. Physical Review C, Vol. 69, Issue 5 https://doi.org/10.1103/PhysRevC.69.054320	journal	May 2004
Low-momentum interaction in few-nucleon systems Nogga, Andreas; Bogner, Scott K.; Schwenk, Achim Physical Review C, Vol. 70, Issue 6 https://doi.org/10.1103/PhysRevC.70.061002	journal	December 2004
Improved nuclear matter calculations from chiral low-momentum interactions Hebeler, K.; Bogner, S. K.; Furnstahl, R. J. Physical Review C, Vol. 83, Issue 3 https://doi.org/10.1103/PhysRevC.83.031301	journal	March 2011
Ab initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes Hergert, H.; Bogner, S. K.; Morris, T. D. Physical Review C, Vol. 90, Issue 4 https://doi.org/10.1103/PhysRevC.90.041302	journal	October 2014
Accurate nuclear radii and binding energies from a chiral interaction Ekström, A.; Jansen, G. R.; Wendt, K. A. Physical Review C, Vol. 91, Issue 5 https://doi.org/10.1103/PhysRevC.91.051301	journal	May 2015
Ab initio calculation of the potential bubble nucleus Si 34 Duguet, T.; Somà, V.; Lecluse, S. Physical Review C, Vol. 95, Issue 3 https://doi.org/10.1103/PhysRevC.95.034319	journal	March 2017
Saturation with chiral interactions and consequences for finite nuclei Simonis, J.; Stroberg, S. R.; Hebeler, K. Physical Review C, Vol. 96, Issue 1 https://doi.org/10.1103/PhysRevC.96.014303	journal	July 2017
Δ isobars and nuclear saturation Ekström, A.; Hagen, G.; Morris, T. D. Physical Review C, Vol. 97, Issue 2 https://doi.org/10.1103/PhysRevC.97.024332	journal	February 2018
Pion-less effective field theory for atomic nuclei and lattice nuclei Bansal, A.; Binder, S.; Ekström, A. Physical Review C, Vol. 98, Issue 5 https://doi.org/10.1103/PhysRevC.98.054301	journal	November 2018
Uncertainty Quantification for Nuclear Density Functional Theory and Information Content of New Measurements McDonnell, J. D.; Schunck, N.; Higdon, D. Physical Review Letters, Vol. 114, Issue 12 https://doi.org/10.1103/PhysRevLett.114.122501	journal	March 2015
Probing the N = 32 Shell Closure below the Magic Proton Number Z = 20 : Mass Measurements of the Exotic Isotopes K 52 , 53 Rosenbusch, M.; Ascher, P.; Atanasov, D. Physical Review Letters, Vol. 114, Issue 20 https://doi.org/10.1103/PhysRevLett.114.202501	journal	May 2015
Matching Pion-Nucleon Roy-Steiner Equations to Chiral Perturbation Theory Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian Physical Review Letters, Vol. 115, Issue 19 https://doi.org/10.1103/PhysRevLett.115.192301	journal	November 2015
Radii and Binding Energies in Oxygen Isotopes: A Challenge for Nuclear Forces Lapoux, V.; Somà, V.; Barbieri, C. Physical Review Letters, Vol. 117, Issue 5 https://doi.org/10.1103/PhysRevLett.117.052501	journal	July 2016
Structure of Ni 78 from First-Principles Computations Hagen, G.; Jansen, G. R.; Papenbrock, T. Physical Review Letters, Vol. 117, Issue 17 https://doi.org/10.1103/PhysRevLett.117.172501	journal	October 2016
Structure of the Lightest Tin Isotopes Morris, T. D.; Simonis, J.; Stroberg, S. R. Physical Review Letters, Vol. 120, Issue 15 https://doi.org/10.1103/PhysRevLett.120.152503	journal	April 2018
Eigenvector Continuation with Subspace Learning Frame, Dillon; He, Rongzheng; Ipsen, Ilse Physical Review Letters, Vol. 121, Issue 3 https://doi.org/10.1103/PhysRevLett.121.032501	journal	July 2018
Chiral Interactions up to Next-to-Next-to-Next-to-Leading Order and Nuclear Saturation Drischler, C.; Hebeler, K.; Schwenk, A. Physical Review Letters, Vol. 122, Issue 4 https://doi.org/10.1103/PhysRevLett.122.042501	journal	January 2019
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
How Robust is the N = 34 Subshell Closure? First Spectroscopy of Ar 52 Liu, H. N.; Obertelli, A.; Doornenbal, P. Physical Review Letters, Vol. 122, Issue 7 https://doi.org/10.1103/PhysRevLett.122.072502	journal	February 2019
Microscopic Calculation of the Inclusive Electron Scattering Structure Function in O 16 Mihaila, Bogdan; Heisenberg, Jochen H. Physical Review Letters, Vol. 84, Issue 7 https://doi.org/10.1103/PhysRevLett.84.1403	journal	February 2000
Uncertainty Analysis and Order-by-Order Optimization of Chiral Nuclear Interactions Carlsson, B. D.; Ekström, A.; Forssén, C. Physical Review X, Vol. 6, Issue 1 https://doi.org/10.1103/PhysRevX.6.011019	journal	February 2016
Coupled-cluster theory in quantum chemistry Bartlett, Rodney J.; Musiał, Monika Reviews of Modern Physics, Vol. 79, Issue 1 https://doi.org/10.1103/RevModPhys.79.291	journal	February 2007
Modern theory of nuclear forces Epelbaum, E.; Hammer, H. -W.; Meißner, Ulf-G. Reviews of Modern Physics, Vol. 81, Issue 4 https://doi.org/10.1103/RevModPhys.81.1773	journal	December 2009
Bayesian Data Analysis Gelman, Andrew; Carlin, John B.; Stern, Hal S. https://doi.org/10.1201/b16018	book	November 2013
Galaxy formation: a Bayesian uncertainty analysis Vernon, Ian; Goldstein, Michael; Bower, Richard G. Bayesian Analysis, Vol. 5, Issue 4 https://doi.org/10.1214/10-BA524	journal	December 2010
Bayesian Methods for Parameter Estimation in Effective Field Theories Schindler, Matthias R.; Phillips, Daniel R. arXiv https://doi.org/10.48550/arxiv.0808.3643	text	January 2008
Modern Theory of Nuclear Forces Epelbaum, Evgeny; Hammer, Hans-Werner; Meißner, Ulf-G. arXiv https://doi.org/10.48550/arxiv.0811.1338	text	January 2008
Chiral effective field theory and nuclear forces Machleidt, R.; Entem, D. R. arXiv https://doi.org/10.48550/arxiv.1105.2919	text	January 2011
Coupled-cluster computations of atomic nuclei Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M. arXiv https://doi.org/10.48550/arxiv.1312.7872	text	January 2013
Uncertainty Quantification for Nuclear Density Functional Theory and Information Content of New Measurements McDonnell, J. D.; Schunck, N.; Higdon, D. arXiv https://doi.org/10.48550/arxiv.1501.03572	text	January 2015
Matching pion-nucleon Roy-Steiner equations to chiral perturbation theory Hoferichter, Martin; de Elvira, Jacobo Ruiz; Kubis, Bastian arXiv https://doi.org/10.48550/arxiv.1507.07552	text	January 2015
Unexpectedly large charge radii of neutron-rich calcium isotopes Ruiz, R. F. Garcia; Bissell, M. L.; Blaum, K. arXiv https://doi.org/10.48550/arxiv.1602.07906	text	January 2016
Ground-State Properties of $^{4}$He and $^{16}$O Extrapolated from Lattice QCD with Pionless EFT Contessi, L.; Lovato, A.; Pederiva, F. arXiv https://doi.org/10.48550/arxiv.1701.06516	text	January 2017
Chiral interactions up to next-to-next-to-next-to-leading order and nuclear saturation Drischler, C.; Hebeler, K.; Schwenk, A. arXiv https://doi.org/10.48550/arxiv.1710.08220	text	January 2017
Eigenvector continuation with subspace learning Frame, Dillon; He, Rongzheng; Ipsen, Ilse arXiv https://doi.org/10.48550/arxiv.1711.07090	text	January 2017
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
Coupled cluster approach to nuclear physics Dean, D. J.; Hjorth-Jensen, M. arXiv https://doi.org/10.48550/arxiv.nucl-th/0308088	text	January 2003
Low-momentum interaction in few-nucleon systems Nogga, Andreas; Bogner, Scott K.; Schwenk, Achim arXiv https://doi.org/10.48550/arxiv.nucl-th/0405016	text	January 2004
Effective Field Theory of Nuclear Forces van Kolck, U. arXiv https://doi.org/10.48550/arxiv.nucl-th/9902015	text	January 1999

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