Converged ab initio calculations of heavy nuclei

Miyagi, T.; Stroberg, S. R.; Navrátil, P.; Hebeler, K.; Holt, J. D.

doi:10.1103/physrevc.105.014302

Title: Converged ab initio calculations of heavy nuclei

Journal Article · 02 January 2022 · Physical Review. C

DOI: https://doi.org/10.1103/physrevc.105.014302 · OSTI ID:1979849

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TRIUMF, Vancouver, BC (Canada); OSTI
Univ. of Washington, Seattle, WA (United States)
TRIUMF, Vancouver, BC (Canada)
Technische Univ. Darmstadt (Germany); GSI-Darmstadt (Germany). ExtreMe Matter Inst. (EMMI); Max Planck Inst. fuer Kernphysik, Heidelberg (Germany)
TRIUMF, Vancouver, BC (Canada); McGill Univ., Montreal, QC (Canada)

We propose a novel storage scheme for three-nucleon (3N) interaction matrix elements relevant for the normal-ordered two-body approximation used extensively in ab initio calculations of atomic nuclei. This scheme reduces the required memory by approximately two orders of magnitude, which allows the generation of 3N interaction matrix elements with the standard truncation of E_3max=28, well beyond the previous limit of 18. We demonstrate that this is sufficient to obtain the ground-state energy of ¹³²Sn converged to within a few MeV with respect to the E_3max truncation. In addition, we study the asymptotic convergence behavior and perform extrapolations to the un-truncated limit. Finally, we investigate the impact of truncations made when evolving free-space 3N interactions with the similarity renormalization group. We find that the contribution of blocks with angular momentum J_rel > 9/2 to the ground-state energy is dominated by a basis-truncation artifact, which vanishes in the large-space limit, so these computationally expensive components can be neglected. For the two sets of nuclear interactions employed in this work, the resulting binding energy of ¹³²Sn agrees with the experimental value within theoretical uncertainties. This work enables converged ab initio calculations of heavy nuclei.

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Research Organization:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science and Engineering Research Council (NSERC); German Research Foundation (DFG)

Grant/Contract Number:: FG02-97ER41014

OSTI ID:: 1979849

Journal Information:: Physical Review. C, Journal Name: Physical Review. C Journal Issue: 1 Vol. 105; ISSN 2469-9985

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (81)

Data for: Manganese Nodules NOD-A-1 and NOD-P-1: Implications of Pre-treatment on Oxygen Isotopes and Mineralogy Knaack, Derek Mendeley https://doi.org/10.17632/snhvt4gs5c.1	dataset	January 2020
Spurious center-of-mass motion Gloeckner, D. H.; Lawson, R. D. Physics Letters B, Vol. 53, Issue 4 https://doi.org/10.1016/0370-2693(74)90390-6	journal	December 1974
The general harmonic-oscillator brackets: compact expression, symmetries, sums and Fortran code Kamuntavičius, G. P.; Kalinauskas, R. K.; Barrett, B. R. Nuclear Physics A, Vol. 695, Issue 1-4 https://doi.org/10.1016/S0375-9474(01)01101-0	journal	December 2001
A unitary correlation operator method Feldmeier, H.; Neff, T.; Roth, R. Nuclear Physics A, Vol. 632, Issue 1 https://doi.org/10.1016/S0375-9474(97)00805-1	journal	March 1998
Search for WIMP-129Xe inelastic scattering with particle identification in XMASS-I Suzuki, T.; Abe, K.; Hiraide, K. Astroparticle Physics, Vol. 110 https://doi.org/10.1016/j.astropartphys.2019.02.007	journal	July 2019
Thick-restart block Lanczos method for large-scale shell-model calculations Shimizu, Noritaka; Mizusaki, Takahiro; Utsuno, Yutaka Computer Physics Communications, Vol. 244 https://doi.org/10.1016/j.cpc.2019.06.011	journal	November 2019
The Shell-Model Code NuShellX@MSU Brown, B. A.; Rae, W. D. M. Nuclear Data Sheets, Vol. 120 https://doi.org/10.1016/j.nds.2014.07.022	journal	June 2014
The N = 126 factory: A new facility to produce very heavy neutron-rich isotopes Savard, G.; Brodeur, M.; Clark, J. A. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 463 https://doi.org/10.1016/j.nimb.2019.05.024	journal	January 2020
Ab initio path to heavy nuclei Binder, Sven; Langhammer, Joachim; Calci, Angelo Physics Letters B, Vol. 736 https://doi.org/10.1016/j.physletb.2014.07.010	journal	September 2014
Hartree–Fock many-body perturbation theory for nuclear ground-states Tichai, Alexander; Langhammer, Joachim; Binder, Sven Physics Letters B, Vol. 756 https://doi.org/10.1016/j.physletb.2016.03.029	journal	May 2016
Bogoliubov many-body perturbation theory for open-shell nuclei Tichai, A.; Arthuis, P.; Duguet, T. Physics Letters B, Vol. 786 https://doi.org/10.1016/j.physletb.2018.09.044	journal	November 2018
Model-independent low momentum nucleon interaction from phase shift equivalence Bogner, S. K.; Kuo, T. T. S.; Schwenk, A. Physics Reports, Vol. 386, Issue 1 https://doi.org/10.1016/j.physrep.2003.07.001	journal	October 2003
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
The In-Medium Similarity Renormalization Group: A novel ab initio method for nuclei Hergert, H.; Bogner, S. K.; Morris, T. D. Physics Reports, Vol. 621 https://doi.org/10.1016/j.physrep.2015.12.007	journal	March 2016
Three-nucleon forces: Implementation and applications to atomic nuclei and dense matter Hebeler, Kai Physics Reports, Vol. 890 https://doi.org/10.1016/j.physrep.2020.08.009	journal	January 2021
Self-consistent Green's function method for nuclei and nuclear matter Dickhoff, W. H.; Barbieri, C. Progress in Particle and Nuclear Physics, Vol. 52, Issue 2 https://doi.org/10.1016/j.ppnp.2004.02.038	journal	April 2004
Lattice simulations for few- and many-body systems Lee, Dean Progress in Particle and Nuclear Physics, Vol. 63, Issue 1 https://doi.org/10.1016/j.ppnp.2008.12.001	journal	July 2009
Electric dipole moments of nucleons, nuclei, and atoms: The Standard Model and beyond Engel, Jonathan; Ramsey-Musolf, Michael J.; van Kolck, U. Progress in Particle and Nuclear Physics, Vol. 71 https://doi.org/10.1016/j.ppnp.2013.03.003	journal	July 2013
Many – Body Methods in Chemistry and Physics Shavitt, Isaiah; Bartlett, Rodney J. https://doi.org/10.1017/CBO9780511596834	book	January 2009
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
Neutron-rich matter in heaven and on Earth Piekarewicz, Jorge; Fattoyev, Farrukh J. Physics Today, Vol. 72, Issue 7 https://doi.org/10.1063/PT.3.4247	journal	July 2019
Unified ab initio approaches to nuclear structure and reactions Navrátil, Petr; Quaglioni, Sofia; Hupin, Guillaume Physica Scripta, Vol. 91, Issue 5 https://doi.org/10.1088/0031-8949/91/5/053002	journal	April 2016
Nuclear structure and astrophysics Grawe, H.; Langanke, K.; Martínez-Pinedo, G. Reports on Progress in Physics, Vol. 70, Issue 9 https://doi.org/10.1088/0034-4885/70/9/R02	journal	August 2007
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
The AME2016 atomic mass evaluation (II). Tables, graphs and references Wang, Meng; Audi, G.; Kondev, F. G. Chinese Physics C, Vol. 41, Issue 3 https://doi.org/10.1088/1674-1137/41/3/030003	journal	March 2017
Novel chiral Hamiltonian and observables in light and medium-mass nuclei Somà, V.; Navrátil, P.; Raimondi, F. Physical Review C, Vol. 101, Issue 1 https://doi.org/10.1103/PhysRevC.101.014318	journal	January 2020
β decay of In 132 and spectroscopy of Sn 132 and Sb 131 with the GRIFFIN spectrometer Whitmore, K.; Andreoiu, C.; Garcia, F. H. Physical Review C, Vol. 102, Issue 2 https://doi.org/10.1103/PhysRevC.102.024327	journal	August 2020
Ab initio multishell valence-space Hamiltonians and the island of inversion Miyagi, T.; Stroberg, S. R.; Holt, J. D. Physical Review C, Vol. 102, Issue 3 https://doi.org/10.1103/PhysRevC.102.034320	journal	September 2020
Charge radii of exotic neon and magnesium isotopes Novario, S. J.; Hagen, G.; Jansen, G. R. Physical Review C, Vol. 102, Issue 5 https://doi.org/10.1103/PhysRevC.102.051303	journal	November 2020
In-medium similarity renormalization group with three-body operators Heinz, M.; Tichai, A.; Hoppe, J. Physical Review C, Vol. 103, Issue 4 https://doi.org/10.1103/PhysRevC.103.044318	journal	April 2021
Normal-ordering approximations and translational (non)invariance Djärv, T.; Ekström, A.; Forssén, C. Physical Review C, Vol. 104, Issue 2 https://doi.org/10.1103/PhysRevC.104.024324	journal	August 2021
Shell-model calculations for the three-nucleon system Navrátil, P.; Barrett, B. R. Physical Review C, Vol. 57, Issue 2 https://doi.org/10.1103/PhysRevC.57.562	journal	February 1998
Four-nucleon shell-model calculations in a Faddeev-like approach Navrátil, P.; Barrett, B. R. Physical Review C, Vol. 59, Issue 4 https://doi.org/10.1103/PhysRevC.59.1906	journal	April 1999
Few-nucleon systems in a translationally invariant harmonic oscillator basis Navrátil, P.; Kamuntavičius, G. P.; Barrett, B. R. Physical Review C, Vol. 61, Issue 4 https://doi.org/10.1103/PhysRevC.61.044001	journal	March 2000
Quantum Monte Carlo calculations of A = 9 , 10 nuclei Pieper, Steven C.; Varga, K.; Wiringa, R. B. Physical Review C, Vol. 66, Issue 4 https://doi.org/10.1103/PhysRevC.66.044310	journal	October 2002
Ab initio shell model with a genuine three-nucleon force for the p -shell nuclei Navrátil, Petr; Ormand, W. Erich Physical Review C, Vol. 68, Issue 3 https://doi.org/10.1103/PhysRevC.68.034305	journal	September 2003
Accurate charge-dependent nucleon-nucleon potential at fourth order of chiral perturbation theory Entem, D. R.; Machleidt, R. Physical Review C, Vol. 68, Issue 4 https://doi.org/10.1103/PhysRevC.68.041001	journal	October 2003
Spectra and binding energy predictions of chiral interactions for Li 7 Nogga, A.; Navrátil, P.; Barrett, B. R. Physical Review C, Vol. 73, Issue 6 https://doi.org/10.1103/PhysRevC.73.064002	journal	June 2006
Similarity renormalization group for nucleon-nucleon interactions Bogner, S. K.; Furnstahl, R. J.; Perry, R. J. Physical Review C, Vol. 75, Issue 6 https://doi.org/10.1103/PhysRevC.75.061001	journal	June 2007
Nuclear symmetry energy and neutron skins derived from pygmy dipole resonances Klimkiewicz, A.; Paar, N.; Adrich, P. Physical Review C, Vol. 76, Issue 5 https://doi.org/10.1103/PhysRevC.76.051603	journal	November 2007
Decoupling in the similarity renormalization group for nucleon-nucleon forces Jurgenson, E. D.; Bogner, S. K.; Furnstahl, R. J. Physical Review C, Vol. 78, Issue 1 https://doi.org/10.1103/PhysRevC.78.014003	journal	July 2008
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
Corrections to nuclear energies and radii in finite oscillator spaces Furnstahl, R. J.; Hagen, G.; Papenbrock, T. Physical Review C, Vol. 86, Issue 3 https://doi.org/10.1103/PhysRevC.86.031301	journal	September 2012
Ab initio calculations of medium-mass nuclei with explicit chiral 3 N interactions Binder, Sven; Langhammer, Joachim; Calci, Angelo Physical Review C, Vol. 87, Issue 2 https://doi.org/10.1103/PhysRevC.87.021303	journal	February 2013
Systematic expansion for infrared oscillator basis extrapolations Furnstahl, R. J.; More, S. N.; Papenbrock, T. Physical Review C, Vol. 89, Issue 4 https://doi.org/10.1103/PhysRevC.89.044301	journal	April 2014
Evolved chiral N N + 3 N Hamiltonians for ab initio nuclear structure calculations Roth, Robert; Calci, Angelo; Langhammer, Joachim Physical Review C, Vol. 90, Issue 2 https://doi.org/10.1103/PhysRevC.90.024325	journal	August 2014
Ab initio Bogoliubov coupled cluster theory for open-shell nuclei Signoracci, A.; Duguet, T.; Hagen, G. Physical Review C, Vol. 91, Issue 6 https://doi.org/10.1103/PhysRevC.91.064320	journal	June 2015
Magnus expansion and in-medium similarity renormalization group Morris, T. D.; Parzuchowski, N. M.; Bogner, S. K. Physical Review C, Vol. 92, Issue 3 https://doi.org/10.1103/PhysRevC.92.034331	journal	September 2015
Open-shell nuclei and excited states from multireference normal-ordered Hamiltonians Gebrerufael, Eskendr; Calci, Angelo; Roth, Robert Physical Review C, Vol. 93, Issue 3 https://doi.org/10.1103/PhysRevC.93.031301	journal	March 2016
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
Precision mass measurements of Cd 125 – 127 isotopes and isomers approaching the N = 82 closed shell Lascar, D.; Klawitter, R.; Babcock, C. Physical Review C, Vol. 96, Issue 4 https://doi.org/10.1103/PhysRevC.96.044323	journal	October 2017
Tensor-decomposition techniques for ab initio nuclear structure calculations: From chiral nuclear potentials to ground-state energies Tichai, A.; Schutski, R.; Scuseria, G. E. Physical Review C, Vol. 99, Issue 3 https://doi.org/10.1103/PhysRevC.99.034320	journal	March 2019
Three-Body Forces and the Limit of Oxygen Isotopes Otsuka, Takaharu; Suzuki, Toshio; Holt, Jason D. Physical Review Letters, Vol. 105, Issue 3 https://doi.org/10.1103/PhysRevLett.105.032501	journal	July 2010
Neutron Skin of Pb 208 , Nuclear Symmetry Energy, and the Parity Radius Experiment Roca-Maza, X.; Centelles, M.; Viñas, X. Physical Review Letters, Vol. 106, Issue 25 https://doi.org/10.1103/PhysRevLett.106.252501	journal	June 2011
Similarity-Transformed Chiral N N + 3 N Interactions for the Ab Initio Description of C 12 and O 16 Roth, Robert; Langhammer, Joachim; Calci, Angelo Physical Review Letters, Vol. 107, Issue 7 https://doi.org/10.1103/PhysRevLett.107.072501	journal	August 2011
Measurement of the Neutron Radius of Pb 208 through Parity Violation in Electron Scattering Abrahamyan, S.; Ahmed, Z.; Albataineh, H. Physical Review Letters, Vol. 108, Issue 11 https://doi.org/10.1103/PhysRevLett.108.112502	journal	March 2012
Medium-Mass Nuclei with Normal-Ordered Chiral N N + 3 N Interactions Roth, Robert; Binder, Sven; Vobig, Klaus Physical Review Letters, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRevLett.109.052501	journal	July 2012
Ab Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Hergert, H.; Binder, S.; Calci, A. Physical Review Letters, Vol. 110, Issue 24 https://doi.org/10.1103/PhysRevLett.110.242501	journal	June 2013
Search for Neutrinoless Double-Beta Decay of Te 130 with CUORE-0 Alfonso, K.; Artusa, D. R.; Avignone, F. T. Physical Review Letters, Vol. 115, Issue 10 https://doi.org/10.1103/PhysRevLett.115.102502	journal	September 2015
Pathway for the Production of Neutron-Rich Isotopes around the N = 126 Shell Closure Watanabe, Y. X.; Kim, Y. H.; Jeong, S. C. Physical Review Letters, Vol. 115, Issue 17 https://doi.org/10.1103/PhysRevLett.115.172503	journal	October 2015
Improved Limits on Scattering of Weakly Interacting Massive Particles from Reanalysis of 2013 LUX Data Akerib, D. S.; Araújo, H. M.; Bai, X. Physical Review Letters, Vol. 116, Issue 16 https://doi.org/10.1103/PhysRevLett.116.161301	journal	April 2016
Search for Majorana Neutrinos Near the Inverted Mass Hierarchy Region with KamLAND-Zen Gando, A.; Gando, Y.; Hachiya, T. Physical Review Letters, Vol. 117, Issue 8 https://doi.org/10.1103/PhysRevLett.117.082503	journal	August 2016
Nucleus-Dependent Valence-Space Approach to Nuclear Structure Stroberg, S. R.; Calci, A.; Hergert, H. Physical Review Letters, Vol. 118, Issue 3 https://doi.org/10.1103/PhysRevLett.118.032502	journal	January 2017
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
Search for Neutrinoless Double- β Decay with the Complete EXO-200 Dataset Anton, G.; Badhrees, I.; Barbeau, P. S. Physical Review Letters, Vol. 123, Issue 16 https://doi.org/10.1103/PhysRevLett.123.161802	journal	October 2019
Light Dark Matter Search with Ionization Signals in XENON1T Aprile, E.; Aalbers, J.; Agostini, F. Physical Review Letters, Vol. 123, Issue 25 https://doi.org/10.1103/PhysRevLett.123.251801	journal	December 2019
First Glimpse of the N = 82 Shell Closure below Z = 50 from Masses of Neutron-Rich Cadmium Isotopes and Isomers Manea, V.; Karthein, J.; Atanasov, D. Physical Review Letters, Vol. 124, Issue 9 https://doi.org/10.1103/PhysRevLett.124.092502	journal	March 2020
Improved Limit on Neutrinoless Double-Beta Decay in Te 130 with CUORE Adams, D. Q.; Alduino, C.; Alfonso, K. Physical Review Letters, Vol. 124, Issue 12 https://doi.org/10.1103/PhysRevLett.124.122501	journal	March 2020
Ab Initio Computation of Charge Densities for Sn and Xe Isotopes Arthuis, P.; Barbieri, C.; Vorabbi, M. Physical Review Letters, Vol. 125, Issue 18 https://doi.org/10.1103/PhysRevLett.125.182501	journal	October 2020
Ab Initio Limits of Atomic Nuclei Stroberg, S. R.; Holt, J. D.; Schwenk, A. Physical Review Letters, Vol. 126, Issue 2 https://doi.org/10.1103/PhysRevLett.126.022501	journal	January 2021
Ab Initio Neutrinoless Double-Beta Decay Matrix Elements for Ca 48 , Ge 76 , and Se 82 Belley, A.; Payne, C. G.; Stroberg, S. R. Physical Review Letters, Vol. 126, Issue 4 https://doi.org/10.1103/PhysRevLett.126.042502	journal	January 2021
Neutron Star Structure and the Neutron Radius of P 208 b Horowitz, C. J.; Piekarewicz, J. Physical Review Letters, Vol. 86, Issue 25 https://doi.org/10.1103/PhysRevLett.86.5647	journal	June 2001
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
Quantum Monte Carlo methods for nuclear physics Carlson, J.; Gandolfi, S.; Pederiva, F. Reviews of Modern Physics, Vol. 87, Issue 3 https://doi.org/10.1103/RevModPhys.87.1067	journal	September 2015
Nuclear effective field theory: Status and perspectives Hammer, H. -W.; König, Sebastian; van Kolck, U. Reviews of Modern Physics, Vol. 92, Issue 2 https://doi.org/10.1103/RevModPhys.92.025004	journal	June 2020
Pre-processing the nuclear many-body problem: Importance truncation versus tensor factorization techniques Tichai, A.; Ripoche, J.; Duguet, T. The European Physical Journal A, Vol. 55, Issue 6 https://doi.org/10.1140/epja/i2019-12758-6	journal	June 2019
Nonempirical Interactions for the Nuclear Shell Model: An Update Stroberg, S. Ragnar; Hergert, Heiko; Bogner, Scott K. Annual Review of Nuclear and Particle Science, Vol. 69, Issue 1 https://doi.org/10.1146/annurev-nucl-101917-021120	journal	October 2019
Nuclear Forces and Their Impact on Neutron-Rich Nuclei and Neutron-Rich Matter Hebeler, K.; Holt, J. D.; Menéndez, J. Annual Review of Nuclear and Particle Science, Vol. 65, Issue 1 https://doi.org/10.1146/annurev-nucl-102313-025446	journal	October 2015
Many-Body Perturbation Theories for Finite Nuclei Tichai, Alexander; Roth, Robert; Duguet, Thomas Frontiers in Physics, Vol. 8 https://doi.org/10.3389/fphy.2020.00164	journal	June 2020
A Guided Tour of ab initio Nuclear Many-Body Theory Hergert, Heiko Frontiers in Physics, Vol. 8 https://doi.org/10.3389/fphy.2020.00379	journal	October 2020

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