Uncertainties in ab initio nuclear structure calculations with chiral interactions
Abstract
We present theoretical ground state energies and their uncertainties for p -shell nuclei obtained from chiral effective field theory internucleon interactions as a function of chiral order, fitted to two- and three-body data only. We apply a Similary Renormalization Group transformation to improve the numerical convergence of the many-body calculations, and discuss both the numerical uncertainties arising from basis truncations and those from omitted induced many-body forces, as well as chiral truncation uncertainties. With complete Next-to-Next-to-Leading (N 2 LO) order two- and three-body interactions, we find significant overbinding for the ground states in the upper p -shell, but using higher-order two-body potentials, in combination with N 2 LO three-body forces, our predictions agree with experiment throughout the p -shell to within our combined estimated uncertainties. The uncertainties due to chiral order truncation are noticeably larger than the numerical uncertainties, but they are expected to become comparable to the numerical uncertainties at complete N 3 LO.
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1961919
- Grant/Contract Number:
- FG02-87ER40371 DE-SC0018223 DE-SC0023495 DE-AC02-05CH11231 DE-AC02-06CH11357
- Resource Type:
- Published Article
- Journal Name:
- Frontiers in Physics
- Additional Journal Information:
- Journal Name: Frontiers in Physics Journal Volume: 11; Journal ID: ISSN 2296-424X
- Publisher:
- Frontiers Media SA
- Country of Publication:
- Switzerland
- Language:
- English
Citation Formats
Maris, P., Le, H., Nogga, A., Roth, R., and Vary, J. P. Uncertainties in ab initio nuclear structure calculations with chiral interactions. Switzerland: N. p., 2023.
Web. doi:10.3389/fphy.2023.1098262.
Maris, P., Le, H., Nogga, A., Roth, R., & Vary, J. P. Uncertainties in ab initio nuclear structure calculations with chiral interactions. Switzerland. https://doi.org/10.3389/fphy.2023.1098262
Maris, P., Le, H., Nogga, A., Roth, R., and Vary, J. P. Thu .
"Uncertainties in ab initio nuclear structure calculations with chiral interactions". Switzerland. https://doi.org/10.3389/fphy.2023.1098262.
@article{osti_1961919,
title = {Uncertainties in ab initio nuclear structure calculations with chiral interactions},
author = {Maris, P. and Le, H. and Nogga, A. and Roth, R. and Vary, J. P.},
abstractNote = {We present theoretical ground state energies and their uncertainties for p -shell nuclei obtained from chiral effective field theory internucleon interactions as a function of chiral order, fitted to two- and three-body data only. We apply a Similary Renormalization Group transformation to improve the numerical convergence of the many-body calculations, and discuss both the numerical uncertainties arising from basis truncations and those from omitted induced many-body forces, as well as chiral truncation uncertainties. With complete Next-to-Next-to-Leading (N 2 LO) order two- and three-body interactions, we find significant overbinding for the ground states in the upper p -shell, but using higher-order two-body potentials, in combination with N 2 LO three-body forces, our predictions agree with experiment throughout the p -shell to within our combined estimated uncertainties. The uncertainties due to chiral order truncation are noticeably larger than the numerical uncertainties, but they are expected to become comparable to the numerical uncertainties at complete N 3 LO.},
doi = {10.3389/fphy.2023.1098262},
journal = {Frontiers in Physics},
number = ,
volume = 11,
place = {Switzerland},
year = {Thu Mar 16 00:00:00 EDT 2023},
month = {Thu Mar 16 00:00:00 EDT 2023}
}
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Works referenced in this record:
Quantum Monte Carlo calculations of nuclei with
journal, October 1997
- Pudliner, B. S.; Pandharipande, V. R.; Carlson, J.
- Physical Review C, Vol. 56, Issue 4
The bonn meson-exchange model for the nucleon—nucleon interaction
journal, May 1987
- Machleidt, R.; Holinde, K.; Elster, Ch.
- Physics Reports, Vol. 149, Issue 1
Large-scale exact diagonalizations reveal low-momentum scales of nuclei
journal, March 2018
- Forssén, C.; Carlsson, B. D.; Johansson, H. T.
- Physical Review C, Vol. 97, Issue 3
Accurate nucleon-nucleon potential with charge-independence breaking
journal, January 1995
- Wiringa, R. B.; Stoks, V. G. J.; Schiavilla, R.
- Physical Review C, Vol. 51, Issue 1
Ab initio no core shell model
journal, March 2013
- Barrett, Bruce R.; Navrátil, Petr; Vary, James P.
- Progress in Particle and Nuclear Physics, Vol. 69
Structure of -shell nuclei using three-nucleon interactions evolved with the similarity renormalization group
journal, May 2013
- Jurgenson, E. D.; Maris, P.; Furnstahl, R. J.
- Physical Review C, Vol. 87, Issue 5
Recent Progress in Nuclear Lattice Simulations
journal, May 2020
- Lee, Dean
- Frontiers in Physics, Vol. 8
Convergence in the no-core shell model with low-momentum two-nucleon interactions
journal, March 2008
- Bogner, S. K.; Furnstahl, R. J.; Maris, P.
- Nuclear Physics A, Vol. 801, Issue 1-2
Spurious center-of-mass motion
journal, December 1974
- Gloeckner, D. H.; Lawson, R. D.
- Physics Letters B, Vol. 53, Issue 4
Natural orbitals for ab initio no-core shell model calculations
journal, March 2019
- Tichai, Alexander; Müller, Julius; Vobig, Klaus
- Physical Review C, Vol. 99, Issue 3
Natural orbitals for theab initiono-core configuration interaction approach
journal, May 2022
- Fasano, Patrick J.; Constantinou, Chrysovalantis; Caprio, Mark A.
- Physical Review C, Vol. 105, Issue 5
Monte Carlo shell model for atomic nuclei
journal, January 2001
- Otsuka, T.; Honma, M.; Mizusaki, T.
- Progress in Particle and Nuclear Physics, Vol. 47, Issue 1
Ab initio predictions link the neutron skin of 208Pb to nuclear forces
journal, August 2022
- Hu, Baishan; Jiang, Weiguang; Miyagi, Takayuki
- Nature Physics, Vol. 18, Issue 10
Medium-Mass Nuclei with Normal-Ordered Chiral Interactions
journal, July 2012
- Roth, Robert; Binder, Sven; Vobig, Klaus
- Physical Review Letters, Vol. 109, Issue 5
Infrared length scale and extrapolations for the no-core shell model
journal, June 2015
- Wendt, K. A.; Forssén, C.; Papenbrock, T.
- Physical Review C, Vol. 91, Issue 6
Light-Nuclei Spectra from Chiral Dynamics
journal, February 2018
- Piarulli, M.; Baroni, A.; Girlanda, L.
- Physical Review Letters, Vol. 120, Issue 5
Center-of-Mass Motion in the Nuclear Shell Model
journal, June 1958
- Lipkin, H. J.
- Physical Review, Vol. 110, Issue 6
Few-nucleon forces from chiral Lagrangians
journal, June 1994
- van Kolck, U.
- Physical Review C, Vol. 49, Issue 6
Realistic models of pion-exchange three-nucleon interactions
journal, June 2001
- Pieper, Steven C.; Pandharipande, V. R.; Wiringa, R. B.
- Physical Review C, Vol. 64, Issue 1
Jacobi no-core shell model for p-shell hypernuclei
journal, December 2020
- Le, Hoai; Haidenbauer, Johann; Meißner, Ulf-G.
- The European Physical Journal A, Vol. 56, Issue 12
Construction of high-quality NN potential models
journal, June 1994
- Stoks, V. G. J.; Klomp, R. A. M.; Terheggen, C. P. F.
- Physical Review C, Vol. 49, Issue 6
Towards high-order calculations of three-nucleon scattering in chiral effective field theory
journal, March 2020
- Epelbaum, E.; Golak, J.; Hebeler, K.
- The European Physical Journal A, Vol. 56, Issue 3
Local chiral potentials with -intermediate states and the structure of light nuclei
journal, November 2016
- Piarulli, M.; Girlanda, L.; Schiavilla, R.
- Physical Review C, Vol. 94, Issue 5
Ab initio path to heavy nuclei
journal, September 2014
- Binder, Sven; Langhammer, Joachim; Calci, Angelo
- Physics Letters B, Vol. 736
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
Renormalization of Hamiltonians
journal, December 1993
- Głazek, Stanisław D.; Wilson, Kenneth G.
- Physical Review D, Vol. 48, Issue 12
Nuclear Lattice Effective Field Theory
book, January 2019
- Lähde, Timo A.; Meißner, Ulf-G.
- Lecture Notes in Physics
Minimally nonlocal nucleon-nucleon potentials with chiral two-pion exchange including resonances
journal, February 2015
- Piarulli, M.; Girlanda, L.; Schiavilla, R.
- Physical Review C, Vol. 91, Issue 2
AB INITIO NUCLEAR STRUCTURE CALCULATIONS OF p-SHELL NUCLEI WITH JISP16
journal, July 2013
- Maris, Pieter; Vary, James P.
- International Journal of Modern Physics E, Vol. 22, Issue 07
High Performance Optimizations for Nuclear Physics Code MFDn on KNL
book, January 2016
- Cook, Brandon; Maris, Pieter; Shao, Meiyue
- Lecture Notes in Computer Science
Nuclear forces from chiral lagrangians
journal, November 1990
- Weinberg, Steven
- Physics Letters B, Vol. 251, Issue 2
Chiral effective field theory and nuclear forces
journal, June 2011
- Machleidt, R.; Entem, D. R.
- Physics Reports, Vol. 503, Issue 1
Are low-energy nuclear observables sensitive to high-energy phase shifts?
journal, June 2007
- Bogner, S. K.; Furnstahl, R. J.; Perry, R. J.
- Physics Letters B, Vol. 649, Issue 5-6
Coupled-cluster theory for three-body Hamiltonians
journal, September 2007
- Hagen, G.; Papenbrock, T.; Dean, D. J.
- Physical Review C, Vol. 76, Issue 3
N3LO NN interaction adjusted to light nuclei in ab exitu approach
journal, October 2016
- Shirokov, A. M.; Shin, I. J.; Kim, Y.
- Physics Letters B, Vol. 761
Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver
journal, January 2018
- Shao, Meiyue; Aktulga, H. Metin; Yang, Chao
- Computer Physics Communications, Vol. 222
Extrapolation of nuclear structure observables with artificial neural networks
journal, November 2019
- Jiang, W. G.; Hagen, G.; Papenbrock, T.
- Physical Review C, Vol. 100, Issue 5
Machine learning for the prediction of converged energies from ab initio nuclear structure calculations
journal, April 2023
- Knöll, Marco; Wolfgruber, Tobias; Agel, Marc L.
- Physics Letters B, Vol. 839
Modern theory of nuclear forces
journal, December 2009
- Epelbaum, E.; Hammer, H. -W.; Meißner, Ulf-G.
- Reviews of Modern Physics, Vol. 81, Issue 4
Improving the scalability of a symmetric iterative eigensolver for multi-core platforms: IMPROVING THE SCALABILITY OF A SYMMETRIC ITERATIVE EIGENSOLVER
journal, September 2013
- Aktulga, Hasan Metin; Yang, Chao; Ng, Esmond G.
- Concurrency and Computation: Practice and Experience, Vol. 26, Issue 16
Light nuclei with semilocal momentum-space regularized chiral interactions up to third order
journal, May 2021
- Maris, P.; Epelbaum, E.; Furnstahl, R. J.
- Physical Review C, Vol. 103, Issue 5
The two-pion-exchange three-nucleon potential and nuclear matter
journal, April 1979
- Coon, S. A.; Scadron, M. D.; McNamee, P. C.
- Nuclear Physics A, Vol. 317, Issue 1
Nuclear Dynamics and Reactions in the Ab Initio Symmetry-Adapted Framework
journal, September 2021
- Launey, Kristina D.; Mercenne, Alexis; Dytrych, Tomas
- Annual Review of Nuclear and Particle Science, Vol. 71, Issue 1
Universal properties of infrared oscillator basis extrapolations
journal, April 2013
- More, S. N.; Ekström, A.; Furnstahl, R. J.
- Physical Review C, Vol. 87, Issue 4
Jacobi no-core shell model for p-shell nuclei
journal, April 2016
- Liebig, S.; Meißner, U. -G.; Nogga, A.
- The European Physical Journal A, Vol. 52, Issue 4
Nuclear effective field theory: Status and perspectives
journal, June 2020
- Hammer, H. -W.; König, Sebastian; van Kolck, U.
- Reviews of Modern Physics, Vol. 92, Issue 2
Quantifying correlated truncation errors in effective field theory
journal, October 2019
- Melendez, J. A.; Furnstahl, R. J.; Phillips, D. R.
- Physical Review C, Vol. 100, Issue 4
The In-Medium Similarity Renormalization Group: A novel ab initio method for nuclei
journal, March 2016
- Hergert, H.; Bogner, S. K.; Morris, T. D.
- Physics Reports, Vol. 621
Semilocal momentum-space regularized chiral two-nucleon potentials up to fifth order
journal, May 2018
- Reinert, P.; Krebs, H.; Epelbaum, E.
- The European Physical Journal A, Vol. 54, Issue 5
Rigorous constraints on three-nucleon forces in chiral effective field theory from fast and accurate calculations of few-body observables
journal, December 2021
- Wesolowski, S.; Svensson, I.; Ekström, A.
- Physical Review C, Vol. 104, Issue 6
Subleading contributions to the chiral three-nucleon force: Long-range terms
journal, June 2008
- Bernard, V.; Epelbaum, E.; Krebs, H.
- Physical Review C, Vol. 77, Issue 6
Nuclear properties with semilocal momentum-space regularized chiral interactions beyond
N 2 LO
journal, December 2022
- Maris, P.; Roth, R.; Epelbaum, E.
- Physical Review C, Vol. 106, Issue 6
Convergence properties of ab initio calculations of light nuclei in a harmonic oscillator basis
journal, November 2012
- Coon, S. A.; Avetian, M. I.; Kruse, M. K. G.
- Physical Review C, Vol. 86, Issue 5
Corrections to nuclear energies and radii in finite oscillator spaces
journal, September 2012
- Furnstahl, R. J.; Hagen, G.; Papenbrock, T.
- Physical Review C, Vol. 86, Issue 3
Importance truncation for large-scale configuration interaction approaches
journal, June 2009
- Roth, Robert
- Physical Review C, Vol. 79, Issue 6
Nuclear physics uncertainties in light hypernuclei
journal, November 2022
- Gazda, D.; Yadanar Htun, T.; Forssén, C.
- Physical Review C, Vol. 106, Issue 5
Unitary correlation operator method and similarity renormalization group: Connections and differences
journal, June 2008
- Roth, R.; Reinhardt, S.; Hergert, H.
- Physical Review C, Vol. 77, Issue 6
High-precision, charge-dependent Bonn nucleon-nucleon potential
journal, January 2001
- Machleidt, R.
- Physical Review C, Vol. 63, Issue 2
Few-nucleon and many-nucleon systems with semilocal coordinate-space regularized chiral nucleon-nucleon forces
journal, July 2018
- Binder, S.; Calci, A.; Epelbaum, E.
- Physical Review C, Vol. 98, Issue 1
Transformation brackets for harmonic oscillator functions
journal, October 1959
- Moshinsky, Marcos
- Nuclear Physics, Vol. 13, Issue 1
Ab initio no-core full configuration calculations of light nuclei
journal, January 2009
- Maris, P.; Vary, J. P.; Shirokov, A. M.
- Physical Review C, Vol. 79, Issue 1
Nuclear spectroscopy with harmonic oscillator wave-functions
text, January 1952
- Igal, Talmi,
- ETH Zurich
Natural orbital description of the halo nucleus 6He
journal, November 2017
- Constantinou, Chrysovalantis; Caprio, Mark A.; Vary, James P.
- Nuclear Science and Techniques, Vol. 28, Issue 12
Flow-equations for Hamiltonians
journal, January 1994
- Wegner, Franz
- Annalen der Physik, Vol. 506, Issue 2
Evolution of Nuclear Many-Body Forces with the Similarity Renormalization Group
journal, August 2009
- Jurgenson, E. D.; Navrátil, P.; Furnstahl, R. J.
- Physical Review Letters, Vol. 103, Issue 8
Evidence for Symplectic Symmetry in Ab Initio No-Core Shell Model Results for Light Nuclei
journal, April 2007
- Dytrych, Tomáš; Sviratcheva, Kristina D.; Bahri, Chairul
- Physical Review Letters, Vol. 98, Issue 16
Similarity-Transformed Chiral Interactions for the Ab Initio Description of and
journal, August 2011
- Roth, Robert; Langhammer, Joachim; Calci, Angelo
- Physical Review Letters, Vol. 107, Issue 7
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
Quantum Monte Carlo methods for nuclear physics
journal, September 2015
- Carlson, J.; Gandolfi, S.; Pederiva, F.
- Reviews of Modern Physics, Vol. 87, Issue 3
From low-momentum interactions to nuclear structure
journal, July 2010
- Bogner, S. K.; Furnstahl, R. J.; Schwenk, A.
- Progress in Particle and Nuclear Physics, Vol. 65, Issue 1
Evolved chiral Hamiltonians for ab initio nuclear structure calculations
journal, August 2014
- Roth, Robert; Calci, Angelo; Langhammer, Joachim
- Physical Review C, Vol. 90, Issue 2
Complete set of precise deuteron analyzing powers at intermediate energies: Comparison with modern nuclear force predictions
journal, February 2002
- Sekiguchi, K.; Sakai, H.; Witała, H.
- Physical Review C, Vol. 65, Issue 3