arXiv subjects

A. Scalesi

Publications and source records attributed to A. Scalesi.

6 recordsLinked to original sources

arXiv2026

The iconic $^{238}$U: ab initio nuclear structure theory towards the limit of the periodic table

The ab initio description of heavy and superheavy nuclei constitutes one of the holy grails of nuclear theory, bearing on the synthesis of the heaviest elements and the limits of nuclear stability. Over the last fifteen years, many-body expansion methods, whose numerical cost scales polynomially with system size, have extended first-principles calculations to medium-mass nuclei and a few spherical closed-shell heavy systems. The largest portion of the nuclear chart is however composed of heavy deformed doubly open-shell nuclei and has remained completely out of reach. This is due to two major obstacles: (i) the huge computational cost of beyond mean-field calculations in very large single-particle bases, and (ii) a dubious collapse of the mean-field energy at large prolate deformation. While a highly efficient numerical implementation of the novel deformed self-consistent Green's function formalism removes the first difficulty, the second is cured by the inclusion of many-body correlations beyond the deformed mean field. Presenting the first ab initio calculation of the iconic $^{238}$U nucleus, this work brings the upper-end of the nuclear chart within reach of theoretical predictions based on first principles.

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arXiv2026

Deformed self-consistent Green's function method for atomic nuclei at second and third order in the algebraic diagrammatic construction

The description of atomic nuclei from first principles constitutes one of the central goals of nuclear theory. Polynomial-scaling expansion methods have extended \textit{ab initio} calculations at sub-percent accuracy to medium-mass nuclei and a few closed-shell heavy nuclei, but deformed doubly open-shell heavy and superheavy nuclei remain out of reach. The self-consistent Green's function (SCGF) formalism is here extended to doubly open-shell nuclei by allowing the one-body propagator to spontaneously break SU(2) rotational symmetry. The resulting deformed SCGF (dSCGF) scheme, based on the algebraic diagrammatic construction truncated at first, second, and third order, is implemented in a newly developed many-body suite, \texttt{FoxTrot}. Numerical strategies required to handle the associated, symmetry-unrestricted $M$-scheme working basis are discussed in detail. The method is illustrated through a study of $^{28}$Si based on the 1.8/2.0 (EM) Hamiltonian. The impact of the three-nucleon interaction and of its rank-reduction approximation on the deformed Hartree-Fock total energy curve is examined, and the correlated curve obtained from constrained dSCGF calculations is shown to differ appreciably from the mean-field one. Physical solutions appearing as minima of the correlated curve are shown to be reachable via unconstrained calculations starting from any point along the deformed Hartree-Fock curve, demonstrating the self-consistent character of the method. The $^{28}$Si ground-state binding energy at third order, extrapolated to the infinite basis-size limit, reproduces experiment within $2.1\%$, while the excited prolate solution is consistent with the observed $0^+_3$ shape isomer. The present developments open the way to an accurate ab initio description of all (very) heavy nuclei in the near future.

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arXiv2026

Chiral interactions and superfluidity in the calcium isotopic chain

We perform ab initio calculations of three-point mass differences in the odd- and even-mass $^{39-49}$Ca isotopes to probe nuclear superfluidity via empirical neutron pairing gaps. We also quantify the sensitivity of those gaps to the parameters of the interaction at mean-field level. Recent studies employing accurate chiral nuclear interactions have found these gaps to be too small. We show that experimental values can be reproduced at mean-field level by substantially increasing the attraction of the singlet $S$-wave two-nucleon contact interaction, but doing so induces an unphysical bound state of the di-neutron. The sensitivity of these predictions to the full calibration of the nuclear interaction is then studied by performing Bayesian posterior sampling in a delta-full chiral effective field theory at third chiral order. We find that pairing gaps remain largely unaffected, leaving the explanation of nuclear superfluidity as a future task for improved many-body modeling and refined interactions at higher chiral orders.

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arXiv2025

Refined topology of the N = 20 island of inversion with high precision mass measurements of $^{31-33}$Na and $^{31-35}$Mg

Mass measurements of $^{31-33}$Na and $^{31-35}$Mg using the TITAN MR-TOF-MS at TRIUMF's ISAC facility are presented, with the uncertainty of the $^{33}$Na mass reduced by over two orders of magnitude. The excellent performance of the MR-TOF-MS has also allowed the discovery of a millisecond isomer in $^{32}$Na. The precision obtained shows that the binding energy of the normally closed N = 20 neutron shell reaches a minimum for $^{32}$Mg but increases significantly for $^{31}$Na, hinting at the possibility of enhanced shell strength toward the unbound $^{28}$O. We compare the results with new ab initio predictions that raise intriguing questions of nuclear structure beyond the dripline.

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arXiv2024

Mean-field approximation on steroids: exact description of the deuteron

The present article demonstrates that the deuteron, i.e. the lightest bound nuclear system made of a single proton and a single neutron, can be accurately described within a mean-field-based framework. Although paradoxical at first glance, the deuteron ground-state binding energy, magnetic dipole moment, electric quadrupole moment and root-mean-square proton radius are indeed reproduced with sub-percent accuracy via a low-dimensional linear combination of non-orthogonal Bogoliubov states, i.e. with a method whose numerical cost scales as $n_{\text{dim}}^4$, where $n_{\text{dim}}$ is the dimension of the basis of the one-body Hilbert space. By further putting the system into a harmonic trap, the neutron-proton scattering length and effective range in the ${}^{3}S_1$ channel are also accurately reproduced. To achieve this task, (i) the inclusion of proton-neutron pairing through the mixing of proton and neutron single-particle states in the Bogoliubov transformation and (ii) the restoration of proton and neutron numbers before variation are shown to be mandatory ingredients. This unexpected result has implications regarding the most efficient way to capture necessary correlations as a function of nuclear mass and regarding the possibility to ensure order-by-order renormalizability of many-body calculations based on chiral or pionless effective field theories beyond light nuclei. In this context, the present study will be extended to $^{3}$H and $^{3,4}$He in the near future as well as to the leading order of pionless effective field theory.

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arXiv2020

A first step in the nuclear inverse Kohn-Sham problem: from densities to potentials

Nuclear Density Functional Theory (DFT) plays a prominent role in the understanding of nuclear structure, being the approach with the widest range of applications. Hohenberg and Kohn theorems warrant the existence of a nuclear Energy Density Functional (EDF), yet its form is unknown. Current efforts to build a nuclear EDF are hindered by the lack of a strategy for systematic improvement. In this context, alternative approaches should be pursued and, so far, an unexplored avenue is that related to the inverse DFT problem. DFT is based on the one-to-one correspondence between Kohn-Sham (KS) potentials and densities. The exact EDF produces the exact density, so that from the knowledge of experimental or {\it ab initio} densities one may deduce useful information through reverse engineering. The idea has already been proven to be useful in the case of electronic systems. The general problem should be dealt with in steps, and the objective of the present work is to focus on testing algorithms to extract the Kohn-Sham potential within the simplest ansatz from the knowledge of the experimental neutron and proton densities. We conclude that while robust algorithms exist, the experimental densities present some critical aspects. Finally, we provide some perspectives for future works.

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