From closed shells to open shells: Coupled-cluster calculations of atomic nuclei

Journal Article · Tue Mar 10 00:00:00 EDT 2026 · Physical Review C

DOI:https://doi.org/10.1103/p297-y8vq· OSTI ID:3024320

Marino, Francesco ^[1]; Bonaiti, Francesca ^[2]; Demol, Pepijn ^[3]; Bacca, Sonia ^[1]; Duguet, Thomas ^[4]; Hagen, Gaute ^[5]; Jansen, Gustav R. ^[5]; Papenbrock, Thomas ^[6]; Tichai, Alexander ^[7]

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1. Johannes Gutenberg-Universität Mainz (Germany)
2. Michigan State University, East Lansing, MI (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
3. Université Libre de Bruxelles (Belgium); Brussels Laboratory of the Universe – BLU-ULB (Belgium); KU Leuven (Belgium)
4. Université Paris-Saclay, Gif-sur-Yvette (France); KU Leuven (Belgium)
5. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); University of Tennessee, Knoxville, TN (United States)
6. University of Tennessee, Knoxville, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
7. Technische Universität Darmstadt (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, Darmstadt (Germany); Max-Planck-Institut für Kernphysik, Heidelberg (Germany)

Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segrè chart. While coupled-cluster computations are especially efficient at shell closures, extensions have been developed to tackle open-shell nuclei, by exploiting the equation-of-motion method or by expanding the coupled-cluster wave function on top of a symmetry-breaking (either deformed or superfluid) reference state. In this study, we provide a comprehensive comparison of these different formulations applied to the calcium and nickel isotopes using nuclear two-and three-body interactions from chiral effective field theory. Here, based on ground-state energies, two-neutron separation energies, and two-neutron shell gaps, different coupled-cluster computations—based on symmetry-broken reference states and equationof-motion techniques— offer consistent descriptions of bulk properties across medium-mass isotopic chains.

• Research Organization: University of Tennessee, Knoxville, TN (United States)
• Sponsoring Organization: European Union’s Horizon Europe research and innovation programme; Research Foundation Flanders; USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Science (SC), Nuclear Physics (NP)
• Grant/Contract Number: AC05-00OR22725; FG02-96ER40963; SC0013617
• Other Award/Contract Number: 101162059; 11G5123B
• OSTI ID: 3024320
• Journal Information: Physical Review C, Journal Name: Physical Review C; ISSN 2469-9985; ISSN 2469-9993
• Publisher: American Physical Society (APS)
• Country of Publication: United States
• Language: English