arXiv subjects

Konstantinos Kravvaris

Publications and source records attributed to Konstantinos Kravvaris.

14 recordsLinked to original sources

arXiv2026

Ab Initio Study of $^7$Li with Coupled Mass Partitions

Background: Lithium is of broad interest in nuclear astrophysics, fusion energy research, and nuclear technology. From a theoretical perspective, the nucleus $^7$Li presents a remarkable challenge, as its bound and resonant states can exhibit contributions from both the $^4$He + $^3$H cluster configuration and configurations involving a neutron or proton coupled to a $^6$Li or $^6$He core, respectively. Purpose: We aim to achieve a unified ab initio description of bound-state and continuum properties of $^7$Li by explicitly including simultaneously the coupled mass/charge partitions $^4$He + $^3$H, $^6$Li + $n$, and $^6$He + $p$. Specifically, we investigate the effect of inter-partition coupling on the spectrum of $^7$Li and calculate cross sections for the $^6$Li($n,p)^6$He, $^6$He($p,n)^6$Li, and $^6$He($p,t)^4$He reactions. Method: We employ the no-core shell model with continuum for the first time in a calculation that couples three mass/charge partitions of the aggregate nucleus $^7$Li, using a chiral nucleon-nucleon interaction as input. Results: The calculated spectrum reproduces all the experimentally observed states of $^7$Li in the correct order and predicts additional resonances. The calculation also reproduces the overall energy dependence of the $^6$Li$(n,p)^6$He cross section. Improved agreement with measured cross sections is obtained after phenomenological adjustment of resonance energies. Conclusions: The present results show that coupling the relevant mass/charge partitions is important for a consistent description of the $^7$Li spectrum and reaction cross sections, and offers a useful framework for interpreting existing data and guiding future measurements.

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arXiv2026

From credible shell model interactions to neutron-capture uncertainties

Nuclear structure theory can provide nuclear astrophysics and nuclear technologies with bound state properties and transition rates. When describing nuclear reactions, the list can be extended to include statistical properties such as nuclear level densities (NLDs) and radiative strength functions (RSFs). We present the first uncertainty-quantified neutron-capture cross section for $^{27}$Al based on NLDs and RSFs computed with the shell model (SM). We find that the USDBUQ500 SM interaction predicts NLDs and RSFs with constant uncertainties of 6% and 9%, respectively. These, in turn, translate to a 5 to 25% uncertainty in the neutron-capture cross section, which exhibits a surprisingly non-Gaussian distribution.

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arXiv2026

Radiative strength functions from the energy-localized Brink-Axel hypothesis

Radiative strength functions (RSFs) model the bulk electromagnetic response of highly-excited nuclei and are critical inputs for statistical reaction codes. In this paper, we present a definition of the RSF that is consistent with Hauser-Feshbach reaction codes and that can be efficiently computed with the shell model using the Lanczos strength-function (LSF) method. We introduce a variant of the shell model LSF method that exploits the energy-localized Brink-Axel hypothesis, which makes it possible to compute both electric and magnetic RSFs across all energies relevant to capture reactions. We verify agreement with the conventional definition of RSFs with benchmark calculations of $^{24}$Mg, then present novel results for $^{56}$Fe. For $^{56}$Fe we find that: (i) the M1 RSF shape evolves smoothly with excitation energy, consistent with the energy-localized Brinkl-Axel hypothesis, (ii) both M1 and E1 transitions contribute significantly to the radiative strength below the photo-absorption threshold, and (iii) within the sdpf model space, the strength below 3 MeV observed in Oslo-type experiments cannot be fully reproduced. These results pave the way for a coherent microscopic description of the RSFs and further motivate the use of energy-dependent RSFs in modern reaction codes.

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arXiv2025

Towards shell model interactions with credible uncertainties

Background: The nuclear shell model is a powerful framework for predicting nuclear structure observables, but relies on interaction matrix elements fit to experimental data as its inputs. Extending the shell model's applicability, particularly toward dripline nuclei, requires efficient fitting methods and credible uncertainty quantification. Traditional approaches face computational challenges and may underestimate uncertainties. Purpose: We develop and test a framework combining eigenvector continuation and Markov chain Monte Carlo to efficiently fit shell model interaction matrix elements and quantify their uncertainties. Methods: Eigenvector continuation is used to emulate shell model calculations, reducing computational costs. The emulator enables Markov chain Monte Carlo sampling to optimize interaction matrix elements and rigorously assess parametric uncertainties. The framework is benchmarked using the USDB interaction in the sd shell. Results: The emulator reproduces the USDB interaction with negligible error, validating its use in shell model fitting applications. However, we find that to obtain credible predictive intervals, the model defect of the shell model itself, rather than experimental or emulator error, must be taken into account in order to obtain credible uncertainties. Conclusions: The proposed framework provides an efficient and rigorous approach for fitting shell model interactions and quantifying uncertainties. Further, the normality assumption used in the past appears sufficient to describe the distribution of interaction matrix elements. However, it is crucial to account for model correlations to avoid underestimating uncertainties.

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arXiv2024

Impact of the $^6$Li asymptotic normalization constant onto $α$-induced reactions of astrophysical interest

Indirect methods have become the predominant approach in experimental nuclear astrophysics for studying several low-energy nuclear reactions occurring in stars, as direct measurements of many of these relevant reactions are rendered infeasible due to their low reaction probability. Such indirect methods, however, require theoretical input that in turn can have significant poorly-quantified uncertainties, which can then be propagated to the reaction rates and have a large effect on our quantitative understanding of stellar evolution and nucleosynthesis processes. We present two such examples involving $α$-induced reactions, $^{13}$C($α,n)^{16}$O and $^{12}$C$(α,γ)^{16}$O, for which the low-energy cross sections have been constrained with $(^6$Li$,d)$ transfer data. In this Letter, we discuss how a first-principle calculation of $^6$Li leads to a 21% reduction of the $^{12}$C$(α,γ)^{16}$O cross sections with respect to a previous estimation. This calculation further resolves the discrepancy between recent measurements of the $^{13}$C$(α,n)^{16}$O reaction and points to the need for improved theoretical formulations of nuclear reactions.

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arXiv2024

Tunable-fidelity wave functions for the \textit{ab initio} description of scattering and reactions

The no-core shell model (NCSM) is an \textit{ab initio} method that solves the nuclear many-body problem by expanding the many-particle wave function into a (typically) harmonic oscillator basis and minimizing the energy to obtain the expansion coefficients. Extensions of the NCSM, such as its coupling with microscopic-cluster basis states, further allow for an \textit{ab initio} treatment of light-ion nuclear reactions of interest for both astrophysics and nuclear technology applications. A downside of the method is the exponential scaling of the basis size with increasing number of nucleons and excitation quanta, which limits its applicability to mass $A\lesssim 16$ nuclei, except for variants where the basis is further down-selected via some truncation scheme. We consider a basis selection method for the NCSM that captures the essential degrees of freedom of the nuclear wave function leading to a favorable complexity scaling for calculations and enabling \textit{ab initio} reaction calculations in $sd$-shell nuclei. The particle configurations within the NCSM basis are ordered based on their contribution to the first moment of the Hamiltonian matrix that results from the projection onto the many-body basis. The truncation scheme then consists in retaining only the lowest-first-moment configurations, which typically contain only few many-body basis states (Slater determinants). We present calculations for $^7$Li and $n+^{12}$C scattering using nucleon-nucleon interactions derived from chiral effective field theory and softened using the similarity renormalization group method. The obtained energy levels invariably demonstrate exponential convergence with the size of the basis, and we find improved convergence in scattering calculations. To demonstrate the possibilities enabled by the approach, we also present a first calculation for the scattering of neutrons from $^{24}$Mg.

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arXiv2022

Quantifying uncertainties due to irreducible three-body forces in deuteron-nucleus reactions

\noindent{\bf Background:} Deuteron-induced nuclear reactions are an essential tool for probing the structure of nuclei as well as astrophysical information such as $(n,γ)$ cross sections. The deuteron-nucleus system is typically described within a Faddeev three-body model consisting of a neutron ($n$), a proton ($p$), and the target nucleus ($A$) interacting through pairwise phenomenological potentials. While Faddeev techniques enable the exact description of the three-body dynamics, their predictive power is limited in part by the omission of irreducible neutron-proton-nucleus three-body force ($n$-$p$-$A$ 3BF). {\bf Results:} By comparing the Faddeev and NCSM/RGM results, we show that the irreducible $n$-$p$-$α$ 3BF has a non-negligible effect on bound state and scattering observables alike. Specifically, the Faddeev approach %are yields a $^6$Li ground state that is approximately $600$~keV shallower than the one obtained with the NCSM/RGM. Additionally, the Faddeev calculations for $d$+$α$ scattering yield a $3^+$ resonance that is located approximately $400$~keV higher in energy compared to the NCSM/RGM result. The shape of the $d$+$α$ angular distributions computed using the two approaches also differ, owing to the discrepancy in the predictions of the $3^+$ resonance energy.

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arXiv2022

Ab initio prediction of the $^4{\rm He}(d,γ)\,^6\rm Li$ big bang radiative capture

The rate at which helium ($^4$He) and deuterium ($d$) fuse together to produce lithium-6 ($^6$Li) and a $γ$ ray, $^4$He$(d,γ)^6$Li, is a critical puzzle piece in resolving the roughly three orders of magnitude discrepancy between big bang predictions and astronomical observations for the primordial abundance of $^6$Li. The accurate determination of this radiative capture rate requires the quantitative and predictive description of the fusion probability across the big bang energy window ($30$ keV $\lesssim E\lesssim 400$ keV), where measurements are hindered by low counting rates. We present first-principles (or, ab initio) predictions of the $^4$He$(d,γ)^6$Li astrophysical S-factor using validated nucleon-nucleon and three-nucleon interactions derived within the framework of chiral effective field theory. By employing the ab initio no-core shell model with continuum to describe $^4{\rm He}$-$d$ scattering dynamics and bound $^6\rm Li$ product on an equal footing, we accurately and consistently determine the contributions of the main electromagnetic transitions driving the radiative capture process. Our results reveal an enhancement of the capture probability below 100 keV owing to previously neglected magnetic dipole (M1) transitions and reduce by an average factor of 7 the uncertainty of the thermonuclear capture rate between $0.002$ and $2$ GK.

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arXiv2022

Ab initio informed evaluation of the radiative capture of protons on $^7$Be

The radiative capture of protons by $^7$Be, which is the source of $^8$B that $β$-decays emitting the majority of solar neutrinos measured on earth, has not yet been measured at astrophysically relevant energies. The recommended value for its zero-energy S-factor, $S_{17}$(0) = 20.8$\pm$(0.7)exp$\pm$(1.4)theory eV$\cdot$b, relies on theoretical extrapolations from higher-energy measurements, a process that leads to significant uncertainty. We performed a set of first-principle (or, ab initio) calculations of the $^7$Be($p$, $γ$)$^8$B reaction to provide an independent prediction of the low-energy S-factor with quantified uncertainties. We demonstrate underlying features in the predicted S-factor allowing the combination of theoretical calculations and measurements to produce an evaluated S-factor of $S_{17}$(0) = 19.8$\pm$0.3 eV$\cdot$b. We expect the calculations and uncertainty quantification process described here to set a new standard for the evaluation of light-ion astrophysical reactions.

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arXiv2020

Ab initio framework for nuclear scattering and reactions induced by light projectiles

A quantitative and predictive microscopic theoretical framework that can describe reactions induced by $α$ particles ($^4$He nuclei) and heavier projectiles is currently lacking. Such a framework would contribute to reducing uncertainty in the modeling of stellar evolution and nucleosynthesis and provide the basis for achieving a comprehensive understanding of the phenomenon of nuclear clustering (the organization of protons and neutrons into distinct substructures within a nucleus). We have developed an efficient and general configuration-interaction framework for the description of low-energy reactions and clustering in light nuclei. The new formalism takes full advantage of powerful second-quantization techniques, enabling the description of $α$-$α$ scattering and an exploration of clustering in the exotic $^{12}$Be nucleus. We find that the $^4$He($α$, $α$)$^4$He differential cross section computed with non-locally regulated chiral interactions is in good agreement with experimental data. Our results for $^{12}$Be indicate the presence of strongly mixed helium-cluster states consistent with a molecular-like picture surviving far above the $^6$He+$^6$He threshold, and reveal the strong influence of neutron decay in both the $^{12}$Be spectrum and in the $^6$He($^6$He,$α$)$^8$He cross section. We expect that this approach will enable the description of helium burning cross sections and provide insight on how three-nucleon forces influence the emergence of clustering in nuclei.

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arXiv2020

From bound states to the continuum

This white paper reports on the discussions of the 2018 Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program "From bound states to the continuum: Connecting bound state calculations with scattering and reaction theory". One of the biggest and most important frontiers in nuclear theory today is to construct better and stronger bridges between bound state calculations and calculations in the continuum, especially scattering and reaction theory, as well as teasing out the influence of the continuum on states near threshold. This is particularly challenging as many-body structure calculations typically use a bound state basis, while reaction calculations more commonly utilize few-body continuum approaches. The many-body bound state and few-body continuum methods use different language and emphasize different properties. To build better foundations for these bridges, we present an overview of several bound state and continuum methods and, where possible, point to current and possible future connections.

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arXiv2020

Quantifying uncertainties in neutron-alpha scattering with chiral nucleon-nucleon and three-nucleon forces

Background: Modern ab initio theory combined with high-quality nucleon-nucleon (NN) and three-nucleon (3N) interactions from chiral effective field theory (EFT) can provide a predictive description of low-energy light-nuclei reactions relevant for astrophysics and fusion-energy applications. However, the high cost of computations has so far impeded a complete analysis of the uncertainty budget of such calculations. Purpose: Starting from NN potentials up to fifth order (N4LO) combined with leading-order 3N forces, we study how the order-by-order convergence of the chiral expansion and confidence intervals for the 3N contact and contact-plus-one-pion-exchange low-energy constants (cE and cD) contribute to the overall uncertainty budget of many-body calculations of neutron-He elastic scattering. Methods: We compute structure and reaction observables for three-, four- and five-nucleon systems within the ab initio frameworks of the no-core shell model an no-core shell model with continuum. Using a small set of design runs, we construct a Gaussian process model (GPM) that acts as a statistical emulator for the theory. With this, we gain insight into how uncertainties in the 3N low-energy constants propagate throughout the calculation and determine the Bayesian posterior distribution of these parameters with Markov-Chain Monte-Carlo.

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arXiv2019

Optimal Control for the Quantum Simulation of Nuclear Dynamics

We propose a method for enacting the unitary time propagation of two interacting neutrons at leading order of chiral effective field theory by efficiently encoding the nuclear dynamics into a single multi-level quantum device. The emulated output of the quantum simulation shows that, by applying a single gate that draws on the underlying characteristics of the device, it is possible to observe multiple cycles of the nucleons' dynamics before the onset of decoherence. Owing to the signal's longevity, we can then extract spectroscopic properties of the simulated nuclear system. This allows us to validate the encoding of the nuclear Hamiltonian and the robustness of the simulation in the presence of quantum-hardware noise by comparing the extracted spectroscopic information to exact calculations. This work paves the way for transformative calculations of dynamical properties of nuclei on near-term quantum devices.

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arXiv2017

Constructing realistic alpha cluster channels

We present techniques that allow for $α$-cluster channels with realistic $α$-particle wave functions from No Core Shell Model calculations to be constructed. We compare results of several clustering calculations with realistic $α$ wave functions to those assuming a trivial $(0s)^4$ structure.

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