Improved structure of calcium isotopes from ab initio calculations

Heinz, Matthias; Miyagi, Takayuki; Stroberg, Steven R.; Tichai, Alexander; Hebeler, Kai; Schwenk, Achim

doi:10.1103/physrevc.111.034311

Title: Improved structure of calcium isotopes from ab initio calculations

Journal Article · 09 March 2025 · Physical Review. C

DOI: https://doi.org/10.1103/physrevc.111.034311 · OSTI ID:2529507

^[1];

^[2];

^[3];

^[4];

^[4]

Technische Universität Darmstadt (Germany); ExtreMe Matter Institute EMMI Darmstadt (Germany); Max-Planck-Institut für Kernphysik Heidelberg (Germany); Oak Ridge Leadership Computing Facility, Oak Ridge, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
University of Tsukuba (Japan); Technische Universität Darmstadt (Germany); ExtreMe Matter Institute EMMI Darmstadt (Germany); Max-Planck-Institut für Kernphysik Heidelberg (Germany)
University of Notre Dame, IN (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)
Technische Universität Darmstadt (Germany); ExtreMe Matter Institute EMMI Darmstadt (Germany); Max-Planck-Institut für Kernphysik Heidelberg (Germany)

The in-medium similarity renormalization group (IMSRG) is a powerful and flexible many-body method to compute the structure of nuclei starting from nuclear forces. Recent developments have extended the IMSRG from its standard truncation at the normal-ordered two-body level, the IMSRG(2), to a precision approximation including normal-ordered three-body operators, the IMSRG(3)-N⁷. This improvement provides a more precise solution to the many-body problem and makes it possible to quantify many-body uncertainties in IMSRG calculations. We explore the structure of ^44,48,52Ca using the IMSRG(3)-N⁷, focusing on understanding existing discrepancies of the IMSRG(2) to experimental results. We find a significantly better description of the first 2⁺ excitation energy of ⁴⁸Ca, improving the description of the shell closure at N=28. At the same time, we find that the IMSRG(3)-N⁷ corrections to charge radii do not resolve the systematic underprediction of the puzzling large charge radius difference between ⁵²Ca and ⁴⁸Ca. We present estimates of many-body uncertainties of IMSRG(2) calculations applicable also to other systems based on the size extensivity of the method.

View Journal Article

Cite

Export

Save

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

Sponsoring Organization:: Deutsche Forschungsgemeinschaft (DFG); European Union's Horizon 2020 research and innovation programme; JST ERATO; U.S. National Science Foundation; USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC); USDOE Office of Science (SC), Nuclear Physics (NP)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2529507

Journal Information:: Physical Review. C, Journal Name: Physical Review. C Journal Issue: 3 Vol. 111; ISSN 2469-9985

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (78)

Uncertainty quantification for μ → e conversion in nuclei: charge distributions Noël, Frederic; Hoferichter, Martin Journal of High Energy Physics, Vol. 2024, Issue 8 https://doi.org/10.1007/JHEP08(2024)052	journal	August 2024
A new implementation of the full CCSDT model for molecular electronic structure Scuseria, Gustavo E.; Schaefer, Henry F. Chemical Physics Letters, Vol. 152, Issue 4-5 https://doi.org/10.1016/0009-2614(88)80110-6	journal	November 1988
Even parity states of 16O and 17O Brown, G. E.; Green, A. M. Nuclear Physics, Vol. 75, Issue 2 https://doi.org/10.1016/0029-5582(66)90771-1	journal	January 1966
Shell model study of 0+ states in 40Ca Sakakura, M.; Arima, A.; Sebe, J. Physics Letters B, Vol. 61, Issue 4 https://doi.org/10.1016/0370-2693(76)90581-5	journal	April 1976
Shell model description of isotope shifts in calcium Caurier, E.; Langanke, K.; Martínez-Pinedo, G. Physics Letters B, Vol. 522, Issue 3-4 https://doi.org/10.1016/S0370-2693(01)01246-1	journal	December 2001
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
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
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
Shell evolution of N = 40 isotones towards 60Ca: First spectroscopy of 62Ti Cortés, M. L.; Rodriguez, W.; Doornenbal, P. Physics Letters B, Vol. 800 https://doi.org/10.1016/j.physletb.2019.135071	journal	January 2020
Level structures of 56,58Ca cast doubt on a doubly magic 60Ca Chen, S.; Browne, F.; Doornenbal, P. Physics Letters B, Vol. 843 https://doi.org/10.1016/j.physletb.2023.138025	journal	August 2023
Combining the in-medium similarity renormalization group with the density matrix renormalization group: Shell structure and information entropy Tichai, A.; Knecht, S.; Kruppa, A. T. Physics Letters B, Vol. 845 https://doi.org/10.1016/j.physletb.2023.138139	journal	October 2023
Towards heavy-mass ab initio nuclear structure: Open-shell Ca, Ni and Sn isotopes from Bogoliubov coupled-cluster theory Tichai, A.; Demol, P.; Duguet, T. Physics Letters B, Vol. 851 https://doi.org/10.1016/j.physletb.2024.138571	journal	April 2024
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
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
Ab initio no core shell model Barrett, Bruce R.; Navrátil, Petr; Vary, James P. Progress in Particle and Nuclear Physics, Vol. 69 https://doi.org/10.1016/j.ppnp.2012.10.003	journal	March 2013
Masses of exotic calcium isotopes pin down nuclear forces Wienholtz, F.; Beck, D.; Blaum, K. Nature, Vol. 498, Issue 7454 https://doi.org/10.1038/nature12226	journal	June 2013
Evidence for a new nuclear ‘magic number’ from the level structure of 54Ca Steppenbeck, D.; Takeuchi, S.; Aoi, N. Nature, Vol. 502, Issue 7470 https://doi.org/10.1038/nature12522	journal	October 2013
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
Proton superfluidity and charge radii in proton-rich calcium isotopes Miller, A. J.; Minamisono, K.; Klose, A. Nature Physics, Vol. 15, Issue 5 https://doi.org/10.1038/s41567-019-0416-9	journal	February 2019
Charge radii of exotic potassium isotopes challenge nuclear theory and the magic character of N = 32 Koszorús, Á.; Yang, X. F.; Jiang, W. G. Nature Physics, Vol. 17, Issue 4 https://doi.org/10.1038/s41567-020-01136-5	journal	January 2021
Ab initio predictions link the neutron skin of 208Pb to nuclear forces Hu, Baishan; Jiang, Weiguang; Miyagi, Takayuki Nature Physics, Vol. 18, Issue 10 https://doi.org/10.1038/s41567-022-01715-8	journal	August 2022
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
Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces Taube, Andrew G.; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 128, Issue 4 https://doi.org/10.1063/1.2830236	journal	January 2008
Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives Taube, Andrew G.; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 128, Issue 4 https://doi.org/10.1063/1.2830237	journal	January 2008
A coupled cluster approach with triple excitations Lee, Yoon S.; Kucharski, Stanislaw A.; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 81, Issue 12 https://doi.org/10.1063/1.447591	journal	December 1984
The full CCSDT model for molecular electronic structure Noga, Jozef; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 86, Issue 12 https://doi.org/10.1063/1.452353	journal	June 1987
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 effective field theory of dark matter direct detection Fitzpatrick, A. Liam; Haxton, Wick; Katz, Emanuel Journal of Cosmology and Astroparticle Physics, Vol. 2013, Issue 02 https://doi.org/10.1088/1475-7516/2013/02/004	journal	February 2013
The AME 2020 atomic mass evaluation (II). Tables, graphs and references* Wang, Meng; Huang, W. J.; Kondev, F. G. Chinese Physics C, Vol. 45, Issue 3 https://doi.org/10.1088/1674-1137/abddaf	journal	March 2021
Review of Particle Physics Progress of Theoretical and Experimental Physics, Vol. 2022, Issue 8 https://doi.org/10.1093/ptep/ptac097	journal	August 2022
J=0+States inCa40andCa42 Federman, P.; Pittel, S. Physical Review, Vol. 186, Issue 4 https://doi.org/10.1103/PhysRev.186.1106	journal	October 1969
Nuclear sizes and the isotope shift Friar, J. L.; Martorell, J.; Sprung, D. W. L. Physical Review A, Vol. 56, Issue 6 https://doi.org/10.1103/PhysRevA.56.4579	journal	December 1997
Probing chiral interactions up to next-to-next-to-next-to-leading order in medium-mass nuclei Hoppe, J.; Drischler, C.; Hebeler, K. Physical Review C, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRevC.100.024318	journal	August 2019
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
Accurate bulk properties of nuclei from A = 2 to ∞ from potentials with Δ isobars Jiang, W. G.; Ekström, A.; Forssén, C. Physical Review C, Vol. 102, Issue 5 https://doi.org/10.1103/PhysRevC.102.054301	journal	November 2020
Natural orbitals for many-body expansion methods Hoppe, J.; Tichai, A.; Heinz, M. Physical Review C, Vol. 103, Issue 1 https://doi.org/10.1103/PhysRevC.103.014321	journal	January 2021
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
Converged ab initio calculations of heavy nuclei Miyagi, T.; Stroberg, S. R.; Navrátil, P. Physical Review C, Vol. 105, Issue 1 https://doi.org/10.1103/PhysRevC.105.014302	journal	January 2022
Normal ordering of three-nucleon interactions for ab initio calculations of heavy nuclei Hebeler, K.; Durant, V.; Hoppe, J. Physical Review C, Vol. 107, Issue 2 https://doi.org/10.1103/PhysRevC.107.024310	journal	February 2023
In-medium similarity renormalization group with flowing 3-body operators, and approximations thereof Stroberg, S. R.; Morris, T. D.; He, B. C. Physical Review C, Vol. 110, Issue 4 https://doi.org/10.1103/PhysRevC.110.044316	journal	October 2024
Factorized approximation to the in-medium similarity renormalization group IMSRG(3) He, B. C.; Stroberg, S. R. Physical Review C, Vol. 110, Issue 4 https://doi.org/10.1103/PhysRevC.110.044317	journal	October 2024
Coupled-cluster theory for three-body Hamiltonians Hagen, G.; Papenbrock, T.; Dean, D. J. Physical Review C, Vol. 76, Issue 3 https://doi.org/10.1103/PhysRevC.76.034302	journal	September 2007
Importance truncation for large-scale configuration interaction approaches Roth, Robert Physical Review C, Vol. 79, Issue 6 https://doi.org/10.1103/PhysRevC.79.064324	journal	June 2009
Effect of spin-orbit nuclear charge density corrections due to the anomalous magnetic moment on halonuclei Ong, A.; Berengut, J. C.; Flambaum, V. V. Physical Review C, Vol. 82, Issue 1 https://doi.org/10.1103/PhysRevC.82.014320	journal	July 2010
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
In-medium similarity renormalization group for open-shell nuclei Tsukiyama, K.; Bogner, S. K.; Schwenk, A. Physical Review C, Vol. 85, Issue 6 https://doi.org/10.1103/PhysRevC.85.061304	journal	June 2012
Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians Binder, Sven; Piecuch, Piotr; Calci, Angelo Physical Review C, Vol. 88, Issue 5 https://doi.org/10.1103/PhysRevC.88.054319	journal	November 2013
Chiral two- and three-nucleon forces along medium-mass isotope chains Somà, V.; Cipollone, A.; Barbieri, C. Physical Review C, Vol. 89, Issue 6 https://doi.org/10.1103/PhysRevC.89.061301	journal	June 2014
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
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
Ground and excited states of doubly open-shell nuclei from ab initio valence-space Hamiltonians Stroberg, S. R.; Hergert, H.; Holt, J. D. Physical Review C, Vol. 93, Issue 5 https://doi.org/10.1103/PhysRevC.93.051301	journal	May 2016
Toward a global description of nuclear charge radii: Exploring the Fayans energy density functional Reinhard, P. -G.; Nazarewicz, W. Physical Review C, Vol. 95, Issue 6 https://doi.org/10.1103/PhysRevC.95.064328	journal	June 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
Natural orbitals for ab initio no-core shell model calculations Tichai, Alexander; Müller, Julius; Vobig, Klaus Physical Review C, Vol. 99, Issue 3 https://doi.org/10.1103/PhysRevC.99.034321	journal	March 2019
Coherent elastic neutrino-nucleus scattering: EFT analysis and nuclear responses Hoferichter, Martin; Menéndez, Javier; Schwenk, Achim Physical Review D, Vol. 102, Issue 7 https://doi.org/10.1103/PhysRevD.102.074018	journal	October 2020
In-Medium Similarity Renormalization Group For Nuclei Tsukiyama, K.; Bogner, S. K.; Schwenk, A. Physical Review Letters, Vol. 106, Issue 22 https://doi.org/10.1103/PhysRevLett.106.222502	journal	June 2011
Evolution of Shell Structure in Neutron-Rich Calcium Isotopes Hagen, G.; Hjorth-Jensen, M.; Jansen, G. R. Physical Review Letters, Vol. 109, Issue 3 https://doi.org/10.1103/PhysRevLett.109.032502	journal	July 2012
New Precision Mass Measurements of Neutron-Rich Calcium and Potassium Isotopes and Three-Nucleon Forces Gallant, A. T.; Bale, J. C.; Brunner, T. Physical Review Letters, Vol. 109, Issue 3 https://doi.org/10.1103/PhysRevLett.109.032506	journal	July 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
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
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
Discovery of Ca 60 and Implications For the Stability of Ca 70 Tarasov, O. B.; Ahn, D. S.; Bazin, D. Physical Review Letters, Vol. 121, Issue 2 https://doi.org/10.1103/PhysRevLett.121.022501	journal	July 2018
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
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 Structure Factors for Spin-Dependent Dark Matter Direct Detection Hu, B. S.; Padua-Argüelles, J.; Leutheusser, S. Physical Review Letters, Vol. 128, Issue 7 https://doi.org/10.1103/PhysRevLett.128.072502	journal	February 2022
Extended p3/2 Neutron Orbital and the N=32 Shell Closure in Ca52 Enciu, M.; Liu, H. N.; Obertelli, A. Physical Review Letters, Vol. 129, Issue 26 https://doi.org/10.1103/PhysRevLett.129.262501	journal	December 2022
First principles electromagnetic responses in medium-mass nuclei: Recent progress from coupled-cluster theory Simonis, Johannes; Bacca, Sonia; Hagen, Gaute The European Physical Journal A, Vol. 55, Issue 12 https://doi.org/10.1140/epja/i2019-12825-0	journal	December 2019
NuHamil : A numerical code to generate nuclear two- and three-body matrix elements from chiral effective field theory Miyagi, Takayuki The European Physical Journal A, Vol. 59, Issue 7 https://doi.org/10.1140/epja/s10050-023-01039-y	journal	July 2023
Computational Aspects of Nuclear Coupled-Cluster Theory Hagen, Gaute; Nam, Hai Ah Progress of Theoretical Physics Supplement, Vol. 196 https://doi.org/10.1143/PTPS.196.102	journal	January 2012
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
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

Similar Records

Advanced Ab Initio Methods for Nuclear Structure (Final Report)

Technical Report · 2023 · OSTI ID:1962722

Hergert, Heiko

Uncertainties in ab initio nuclear structure calculations with chiral interactions

Journal Article · 2023 · Frontiers in Physics · OSTI ID:1961919

Maris, P.; Le, H.; Nogga, A.; +2 more

Ab initio calculations of overlap integrals for μ → e conversion in nuclei

Journal Article · 2025 · Physics Letters. B · OSTI ID:3004302

Heinz, Matthias; Hoferichter, Martin; Miyagi, Takayuki; +2 more

Related Subjects

39 ≤ A ≤ 58
73 NUCLEAR PHYSICS AND RADIATION PHYSICS
Ab initio calculations
Binding energy & masses
Energy levels
Nuclear many-body theory
Nuclear radii
Nuclear structure & decays

Title: Improved structure of calcium isotopes from ab initio calculations

Citation Formats

References (78)

Similar Records

Related Subjects