Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus
Abstract
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.
- Authors:
-
- Chalmers Univ. of Technology, Goteburg (Sweden)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1632066
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 123; Journal Issue: 25; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 73 NUCLEAR PHYSICS AND RADIATION PHYSICS
Citation Formats
Ekström, Andreas, and Hagen, Gaute. Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus. United States: N. p., 2019.
Web. doi:10.1103/PhysRevLett.123.252501.
Ekström, Andreas, & Hagen, Gaute. Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus. United States. https://doi.org/10.1103/PhysRevLett.123.252501
Ekström, Andreas, and Hagen, Gaute. Fri .
"Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus". United States. https://doi.org/10.1103/PhysRevLett.123.252501. https://www.osti.gov/servlets/purl/1632066.
@article{osti_1632066,
title = {Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus},
author = {Ekström, Andreas and Hagen, Gaute},
abstractNote = {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.},
doi = {10.1103/PhysRevLett.123.252501},
journal = {Physical Review Letters},
number = 25,
volume = 123,
place = {United States},
year = {2019},
month = {12}
}
Web of Science
Works referenced in this record:
Structure of the Lightest Tin Isotopes
journal, April 2018
- Morris, T. D.; Simonis, J.; Stroberg, S. R.
- Physical Review Letters, Vol. 120, Issue 15
Matching Pion-Nucleon Roy-Steiner Equations to Chiral Perturbation Theory
journal, November 2015
- Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian
- Physical Review Letters, Vol. 115, Issue 19
Chiral effective field theory and nuclear forces
journal, June 2011
- Machleidt, R.; Entem, D. R.
- Physics Reports, Vol. 503, Issue 1
Galaxy formation: a Bayesian uncertainty analysis
journal, December 2010
- Vernon, Ian; Goldstein, Michael; Bower, Richard G.
- Bayesian Analysis, Vol. 5, Issue 4
Neutron Drip Line in the Ca Region from Bayesian Model Averaging
journal, February 2019
- Neufcourt, Léo; Cao, Yuchen; Nazarewicz, Witold
- Physical Review Letters, Vol. 122, Issue 6
Importance measures in global sensitivity analysis of nonlinear models
journal, April 1996
- Homma, Toshimitsu; Saltelli, Andrea
- Reliability Engineering & System Safety, Vol. 52, Issue 1
Ab initio alpha–alpha scattering
journal, December 2015
- Elhatisari, Serdar; Lee, Dean; Rupak, Gautam
- Nature, Vol. 528, Issue 7580
Neutron and weak-charge distributions of the 48Ca nucleus
journal, November 2015
- Hagen, G.; Ekström, A.; Forssén, C.
- Nature Physics, Vol. 12, Issue 2
Effective field theory of nuclear forces
journal, January 1999
- Van Kolck, U.
- Progress in Particle and Nuclear Physics, Vol. 43
Modern theory of nuclear forces
journal, December 2009
- Epelbaum, E.; Hammer, H. -W.; Meißner, Ulf-G.
- Reviews of Modern Physics, Vol. 81, Issue 4
Low-momentum interaction in few-nucleon systems
journal, December 2004
- Nogga, Andreas; Bogner, Scott K.; Schwenk, Achim
- Physical Review C, Vol. 70, Issue 6
Improved nuclear matter calculations from chiral low-momentum interactions
journal, March 2011
- Hebeler, K.; Bogner, S. K.; Furnstahl, R. J.
- Physical Review C, Vol. 83, Issue 3
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps
journal, February 2016
- Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian
- Journal of Chemical Theory and Computation, Vol. 12, Issue 3
Ground-state properties of 4 He and 16 O extrapolated from lattice QCD with pionless EFT
journal, September 2017
- Contessi, L.; Lovato, A.; Pederiva, F.
- Physics Letters B, Vol. 772
Bayesian methods for parameter estimation in effective field theories
journal, March 2009
- Schindler, M. R.; Phillips, D. R.
- Annals of Physics, Vol. 324, Issue 3
isobars and nuclear saturation
journal, February 2018
- Ekström, A.; Hagen, G.; Morris, T. D.
- Physical Review C, Vol. 97, Issue 2
Coupled-cluster approach to nuclear physics
journal, May 2004
- Dean, D. J.; Hjorth-Jensen, M.
- Physical Review C, Vol. 69, Issue 5
Radii and Binding Energies in Oxygen Isotopes: A Challenge for Nuclear Forces
journal, July 2016
- Lapoux, V.; Somà, V.; Barbieri, C.
- Physical Review Letters, Vol. 117, Issue 5
-electron Slater determinants from nonunitary canonical transformations of fermion operators
journal, November 2012
- Jiménez-Hoyos, Carlos A.; Rodríguez-Guzmán, R.; Scuseria, Gustavo E.
- Physical Review A, Vol. 86, Issue 5
Bayesian parameter estimation for effective field theories
journal, May 2016
- Wesolowski, S.; Klco, N.; Furnstahl, R. J.
- Journal of Physics G: Nuclear and Particle Physics, Vol. 43, Issue 7
Chiral Interactions up to Next-to-Next-to-Next-to-Leading Order and Nuclear Saturation
journal, January 2019
- Drischler, C.; Hebeler, K.; Schwenk, A.
- Physical Review Letters, Vol. 122, Issue 4
Saturation with chiral interactions and consequences for finite nuclei
journal, July 2017
- Simonis, J.; Stroberg, S. R.; Hebeler, K.
- Physical Review C, Vol. 96, Issue 1
Microscopic Calculation of the Inclusive Electron Scattering Structure Function in
journal, February 2000
- Mihaila, Bogdan; Heisenberg, Jochen H.
- Physical Review Letters, Vol. 84, Issue 7
Many-fermion theory in expS- (or coupled cluster) form
journal, February 1978
- Kümmel, H.; Lührmann, K. H.; Zabolitzky, J. G.
- Physics Reports, Vol. 36, Issue 1
Discrepancy between experimental and theoretical β-decay rates resolved from first principles
journal, March 2019
- Gysbers, P.; Hagen, G.; Holt, J. D.
- Nature Physics, Vol. 15, Issue 5
Structure of from First-Principles Computations
journal, October 2016
- Hagen, G.; Jansen, G. R.; Papenbrock, T.
- Physical Review Letters, Vol. 117, Issue 17
Variance based sensitivity analysis of model output. Design and estimator for the total sensitivity index
journal, February 2010
- Saltelli, Andrea; Annoni, Paola; Azzini, Ivano
- Computer Physics Communications, Vol. 181, Issue 2
Essential elements for nuclear binding
journal, October 2019
- Lu, Bing-Nan; Li, Ning; Elhatisari, Serdar
- Physics Letters B, Vol. 797
Accurate nuclear radii and binding energies from a chiral interaction
journal, May 2015
- Ekström, A.; Jansen, G. R.; Wendt, K. A.
- Physical Review C, Vol. 91, Issue 5
Pion-less effective field theory for atomic nuclei and lattice nuclei
journal, November 2018
- Bansal, A.; Binder, S.; Ekström, A.
- Physical Review C, Vol. 98, Issue 5
Eigenvector Continuation with Subspace Learning
journal, July 2018
- Frame, Dillon; He, Rongzheng; Ipsen, Ilse
- Physical Review Letters, Vol. 121, Issue 3
Coupled-cluster computations of atomic nuclei
journal, September 2014
- Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M.
- Reports on Progress in Physics, Vol. 77, Issue 9
78Ni revealed as a doubly magic stronghold against nuclear deformation
journal, May 2019
- Taniuchi, R.; Santamaria, C.; Doornenbal, P.
- Nature, Vol. 569, Issue 7754
Coupled-cluster theory in quantum chemistry
journal, February 2007
- Bartlett, Rodney J.; Musiał, Monika
- Reviews of Modern Physics, Vol. 79, Issue 1
Unexpectedly large charge radii of neutron-rich calcium isotopes
journal, February 2016
- Garcia Ruiz, R. F.; Bissell, M. L.; Blaum, K.
- Nature Physics, Vol. 12, Issue 6
Ab initio calculation of the potential bubble nucleus
journal, March 2017
- Duguet, T.; Somà, V.; Lecluse, S.
- Physical Review C, Vol. 95, Issue 3
Probing the Shell Closure below the Magic Proton Number : Mass Measurements of the Exotic Isotopes
journal, May 2015
- Rosenbusch, M.; Ascher, P.; Atanasov, D.
- Physical Review Letters, Vol. 114, Issue 20
Short-range correlations in nuclear wave functions
journal, June 1960
- Coester, F.; Kümmel, H.
- Nuclear Physics, Vol. 17
Uncertainty Analysis and Order-by-Order Optimization of Chiral Nuclear Interactions
journal, February 2016
- Carlsson, B. D.; Ekström, A.; Forssén, C.
- Physical Review X, Vol. 6, Issue 1
Global sensitivity indices for nonlinear mathematical models and their Monte Carlo estimates
journal, February 2001
- Sobol′, I. M.
- Mathematics and Computers in Simulation, Vol. 55, Issue 1-3
Exploring Bayesian parameter estimation for chiral effective field theory using nucleon–nucleon phase shifts
journal, February 2019
- Wesolowski, S.; Furnstahl, R. J.; Melendez, J. A.
- Journal of Physics G: Nuclear and Particle Physics, Vol. 46, Issue 4
Uncertainty Quantification for Nuclear Density Functional Theory and Information Content of New Measurements
journal, March 2015
- McDonnell, J. D.; Schunck, N.; Higdon, D.
- Physical Review Letters, Vol. 114, Issue 12
Ab initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes
journal, October 2014
- Hergert, H.; Bogner, S. K.; Morris, T. D.
- Physical Review C, Vol. 90, Issue 4
How Robust is the Subshell Closure? First Spectroscopy of
journal, February 2019
- Liu, H. N.; Obertelli, A.; Doornenbal, P.
- Physical Review Letters, Vol. 122, Issue 7
Bayesian Methods for Parameter Estimation in Effective Field Theories
text, January 2008
- Schindler, Matthias R.; Phillips, Daniel R.
- arXiv
Modern Theory of Nuclear Forces
text, January 2008
- Epelbaum, Evgeny; Hammer, Hans-Werner; Meißner, Ulf-G.
- arXiv
Chiral effective field theory and nuclear forces
text, January 2011
- Machleidt, R.; Entem, D. R.
- arXiv
Coupled-cluster computations of atomic nuclei
text, January 2013
- Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M.
- arXiv
Uncertainty Quantification for Nuclear Density Functional Theory and Information Content of New Measurements
text, January 2015
- McDonnell, J. D.; Schunck, N.; Higdon, D.
- arXiv
Matching pion-nucleon Roy-Steiner equations to chiral perturbation theory
text, January 2015
- Hoferichter, Martin; de Elvira, Jacobo Ruiz; Kubis, Bastian
- arXiv
Unexpectedly large charge radii of neutron-rich calcium isotopes
text, January 2016
- Ruiz, R. F. Garcia; Bissell, M. L.; Blaum, K.
- arXiv
Ground-State Properties of $^{4}$He and $^{16}$O Extrapolated from Lattice QCD with Pionless EFT
text, January 2017
- Contessi, L.; Lovato, A.; Pederiva, F.
- arXiv
Chiral interactions up to next-to-next-to-next-to-leading order and nuclear saturation
text, January 2017
- Drischler, C.; Hebeler, K.; Schwenk, A.
- arXiv
Eigenvector continuation with subspace learning
text, January 2017
- Frame, Dillon; He, Rongzheng; Ipsen, Ilse
- arXiv
Neutron drip line in the Ca region from Bayesian model averaging
text, January 2019
- Neufcourt, Léo; Cao, Yuchen; Nazarewicz, Witold
- arXiv
Low-momentum interaction in few-nucleon systems
text, January 2004
- Nogga, Andreas; Bogner, Scott K.; Schwenk, Achim
- arXiv