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arXiv:2512.17311·v2·Nuclear Theory

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

F. Marino🇩🇪 · F. Bonaiti🇺🇸 · P. Demol🇧🇪 · S. Bacca🇩🇪 · T. Duguet🇧🇪 · G. Hagen🇺🇸 · G. R. Jansen🇺🇸 · T. Papenbrock🇺🇸 · A. Tichai🇩🇪

Abstract

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. 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 equation-of-motion techniques - offer consistent descriptions of bulk properties across medium-mass isotopic chains.

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