arXiv subjects

L. Zurek

Publications and source records attributed to L. Zurek.

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.

nucl-th↗

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.

nucl-th↗

arXiv2023

Randomized Low-Rank Decompositions of Nuclear Three-Body Interactions

First-principles simulations of many-fermion systems are commonly limited by the computational requirements of processing large data objects. As a remedy, we propose the use of low-rank approximations of three-body interactions, which are the dominant such limitation in nuclear physics. We introduce a novel randomized decomposition technique to handle the excessively large matrix dimensions and study the sensitivity of low-rank properties to interaction details. The developed low-rank three-nucleon interactions are benchmarked in ab initio simulations of few- and many-body systems. Exploiting low-rank properties provides a promising route to extend the microscopic description of atomic nuclei to large systems where storage requirements exceed the computational capacities of the most advanced high-performance computing facilities.

nucl-th↗

arXiv2023

Optimized nuclear energy density functionals including long-range pion contributions

Nuclear energy density functionals successfully reproduce properties of nuclei across almost the entire nuclear chart. However, nearly all available functionals are phenomenological in nature and lack a rigorous connection to systematically improvable nuclear forces. This issue might be solved with an energy density functional obtained from first principles. As an intermediate step towards this goal we construct the GUDE family of functionals that is obtained from a hybrid scheme consisting of long-range pion-exchange contributions derived from chiral effective field theory at the Hartree-Fock level and a phenomenological Skyrme part. When including pion contributions beyond next-to-leading order in the chiral expansion, we find significant improvements over a reference Skyrme functional constructed following the same protocol. We analyze the importance of different pion contributions and identify which terms drive the observed improvements. Since pions are incorporated without adding further optimization parameters to the functionals, the improvements can be attributed to the functional form of these terms. Our work therefore suggests that the considered chiral contributions constitute useful ingredients for true ab initio energy density functionals.

nucl-th↗

arXiv2022

Least-square approach for singular value decompositions of scattering problems

It was recently observed that chiral two-body interactions can be efficiently represented using matrix factorization techniques such as the singular value decomposition. However, the exploitation of these low-rank structures in a few- or many-body framework is nontrivial and requires reformulations that explicitly utilize the decomposition format. In this work, we present a general least-square approach that is applicable to different few- and many-body frameworks and allows for an efficient reduction to a low number of singular values in the least-square iteration. We verify the feasibility of the least-square approach by solving the Lippmann-Schwinger equation in factorized form. The resulting low-rank approximations of the $T$ matrix are found to fully capture scattering observables. Potential applications of the least-square approach to other frameworks with the goal of employing tensor factorization techniques are discussed.

nucl-th↗

arXiv2021

Comparing different density-matrix expansions for long-range pion exchange

Empirical energy density functionals (EDFs) are generally successful in describing nuclear properties across the table of nuclides. But their limitations motivate using the density-matrix expansion (DME) to embed long-range pion interactions into a Skyrme functional. Recent results on the impact of the pion were both encouraging and puzzling, necessitating a careful re-examination of the DME implementation. Here we take the first steps, focusing on two-body scalar terms in the DME. Exchange energies with long-range one-pion contributions are well approximated by all DME implementations considered, with preference for variants that do not truncate at two derivatives in every EDF term. The use of the DME for chiral pion contributions is therefore supported by this investigation. For scalar-isovector energies it is important to treat neutrons and protons separately. The results are found to apply under broad conditions, although self-consistency is not yet tested.

nucl-th↗