arXiv subjects

P. Demol

Publications and source records attributed to P. Demol.

6 recordsLinked to original sources

arXiv2026

Balancing theory uncertainties in ab initio nuclear structure calculations: Many-body truncation versus finite basis size

First-principles calculations of atomic nuclei are necessarily incomplete as the Schr\"odinger equation is solved using approximate methods and due to the finite dimension of the employed Hilbert space. By balancing many-body truncation and basis-size uncertainties, we formalize a criterion for the optimal one-body basis dimension in a given ab initio nuclear structure computation. Next, it is demonstrated that higher-order many-body contributions can be computed using smaller basis sizes than used for the lower orders when a consistent accuracy in the calculation is targeted. Our findings are empirically validated using many-body perturbation theory and coupled-cluster calculations of nuclei spanning a large portion of the nuclear chart using two sets of chiral two- and three-nucleon interactions. The results suggest that considerable computational savings can be obtained using many-body-order-dependent one-body basis sizes.

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arXiv2026

Charge radii of Cl isotopes from x-ray spectroscopy of muonic atoms

Nuclear charge radii are vital for nuclear and atomic physics, the determination of fundamental constants, and searches for new physics. Muonic atoms, where a single negative muon orbits a nucleus, are sensitive tools for determining nuclear radii due to the large wavefunction overlap of the muon and nucleus. Here we report on a new measurement of the $2, 3, 4p\to1s$ x-ray energies in muonic $^{35,37}$Cl with uncertainties reaching 18 ppm. By employing a large-scale germanium detector array, it was possible to extract these energies from a high statistics dataset using highly enriched samples of only a few tens of milligrams. Combining these results with state-of-the-art atomic and nuclear theory input, the charge radii of the stable chlorine isotopes were determined to be $R(^{35}\text{Cl}) = 3.3333(23)~fm$ and $R(^{37}\text{Cl}) = 3.3444(23)~fm$. This is an order of magnitude more precise and significantly different from previously tabulated values. Our new values solve a discrepancy observed for the charge radius difference in mirror nuclei, agreeing with the overall global trend. The charge radius difference $\delta \langle r^2 \rangle (^{37}\text{Cl} - {^{35}\text{Cl}}) = -0.0776(64)~fm^2$ we extract is 25 times more precise than the previous values. This precision is crucial for establishing reference values for future laser spectroscopy measurements of radioactive isotopes.

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arXiv2026

Skyrme-Hartree-Fock-Bogoliubov mass models on a 3D mesh: V. The N2LO extension of the Skyrme EDF

We present BSkG5, the latest entry in the Brussels-Skyrme-on-a-Grid (BSkG) series and the first large-scale nuclear structure model based on next-to-next-to-leading order (N2LO) Skyrme energy density functional (EDF). By extending the traditional Skyrme EDF ansatz with central terms containing up to four gradients, we are able to combine an excellent global description of nuclear ground state properties with a stiff equation of state for pure neutron matter that is consistent with all astronomical observations of neutron stars. More precisely, the new model matches the accuracy of earlier BSkG models but with two parameters less: we achieve root-mean-square deviations of 0.649 MeV for 2457 atomic masses, 0.0267 fm for 810 charge radii, and 0.43 MeV for 45 primary fission barriers of actinide nuclei. We demonstrate that the complexities of N2LO EDFs are not insurmountable, even for demanding many-body calculations.

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arXiv2025

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

Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segr\`e 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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arXiv2025

Modern approach to muonic x-ray spectroscopy demonstrated through the measurement of stable Cl radii

Recent advances in muonic x-ray experiments have reinvigorated efforts in measurements of absolute nuclear charge radii. Here, a modern approach is presented, and demonstrated through determination of the charge radii of the two stable chlorine nuclides $^{35}$Cl and $^{37}$Cl. Knowledge of these radii has implications for fundamental studies in nuclear and atomic physics. For this purpose, a state-of-the-art experiment was performed at the $\pi$E1 beamline in the Paul Scherrer Institute (Switzerland), using a large-scale HPGe detector array in order to extract precise energies of the muonic $^{35}$Cl and $^{37}$Cl $np1s$ transitions. The nuclear charge radius extraction relies on modern calculations for QED effects and nuclear polarization with rigorous uncertainty quantification, including effects that were not accounted for in older studies. Additionally, we established a new method for applying the nuclear shape correction directly from energy density functionals, which are amenable to isotopes for which no high-quality electron scattering experiments are available. The resulting charge radii are $3.3335(23) fm$ for $^{35}$Cl and $3.3445(23) fm$ for $^{37}$Cl, thus improving the uncertainty of the available electron scattering values by a factor of seven. The correlation of several observables was evaluated between the different isotopes in order to produce a more precise value of the differential mean square charge radius $\delta \langle r^2 \rangle^{37, 35}=+0.0771(66) fm^{2}$. In this case, improvement of the uncertainty by more than one order of magnitude was achieved compared to the literature value. This precision is sufficient to use this differential as input for isotope shift factor determination.

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arXiv2023

Towards heavy-mass ab initio nuclear structure: Open-shell Ca, Ni and Sn isotopes from Bogoliubov coupled-cluster theory

Recent developments in nuclear many-body theory enabled the description of open-shell medium-mass nuclei from first principles by exploiting the spontaneous breaking of symmetries within correlation expansion methods. Once combined with systematically improvable inter-nucleon interactions consistently derived from chiral effective field theory, modern ab initio nuclear structure calculations provide a powerful framework to deliver first-principle predictions accompanied with theoretical uncertainties. In this Letter, controlled ab initio Bogoliubov coupled cluster (BCC) calculations are performed for the first time, targeting the ground-state of all calcium, nickel and tin isotopes up to mass A ~ 180. While showing good agreement with available experimental data, the shell structure evolution in neutron-rich isotopes and the location of the neutron drip-lines are predicted. The BCC approach constitutes a key development towards reliable first-principles simulations of heavy-mass open-shell nuclei.

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