arXiv subjects

B. D. Carlsson

Publications and source records attributed to B. D. Carlsson.

7 recordsLinked to original sources

arXiv2018

Large-scale exact diagonalizations reveal low-momentum scales of nuclei

Ab initio methods aim to solve the nuclear many-body problem with controlled approximations. Virtually exact numerical solutions for realistic interactions can only be obtained for certain special cases such as few-nucleon systems. Here we extend the reach of exact diagonalization methods to handle model spaces with dimension exceeding $10^{10}$ on a single compute node. This allows us to perform no-core shell model (NCSM) calculations for 6Li in model spaces up to $N_\mathrm{max} = 22$ and to reveal the 4He+d halo structure of this nucleus. Still, the use of a finite harmonic-oscillator basis implies truncations in both infrared (IR) and ultraviolet (UV) length scales. These truncations impose finite-size corrections on observables computed in this basis. We perform IR extrapolations of energies and radii computed in the NCSM and with the coupled-cluster method at several fixed UV cutoffs. It is shown that this strategy enables information gain also from data that is not fully UV converged. IR extrapolations improve the accuracy of relevant bound-state observables for a range of UV cutoffs, thus making them profitable tools. We relate the momentum scale that governs the exponential IR convergence to the threshold energy for the first open decay channel. Using large-scale NCSM calculations we numerically verify this small-momentum scale of finite nuclei.

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arXiv2016

Quantifying statistical uncertainties in ab initio nuclear physics using Lagrange multipliers

Theoretical predictions need quantified uncertainties for a meaningful comparison to experimental results. This is an idea which presently permeates the field of theoretical nuclear physics. In light of the recent progress in estimating theoretical uncertainties in ab initio nuclear physics, we here present and compare methods for evaluating the statistical part of the uncertainties. A special focus is put on the (for the field) novel method of Lagrange multipliers (LM). Uncertainties from the fit of the nuclear interaction to experimental data are propagated to a few observables in light-mass nuclei to highlight any differences between the presented methods. The main conclusion is that the LM method is more robust, while covariance based methods are less demanding in their evaluation.

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arXiv2016

Uncertainty quantification for proton-proton fusion in chiral effective field theory

We compute the $S$-factor of the proton-proton ($pp$) fusion reaction using chiral effective field theory ($χ$EFT) up to next-to-next-to-leading order (NNLO) and perform a rigorous uncertainty analysis of the results. We quantify the uncertainties due to (i) the computational method used to compute the $pp$ cross section in momentum space, (ii) the statistical uncertainties in the low-energy coupling constants of $χ$EFT, (iii) the systematic uncertainty due to the $χ$EFT cutoff, and (iv) systematic variations in the database used to calibrate the nucleon-nucleon interaction. We also examine the robustness of the polynomial extrapolation procedure, which is commonly used to extract the threshold $S$-factor and its energy-derivatives. By performing a statistical analysis of the polynomial fit of the energy-dependent $S$-factor at several different energy intervals, we eliminate a systematic uncertainty that can arise from the choice of the fit interval in our calculations. In addition, we explore the statistical correlations between the $S$-factor and few-nucleon observables such as the binding energies and point-proton radii of $^{2,3}$H and $^3$He as well as the $D$-state probability and quadrupole moment of $^2$H, and the $β$-decay of $^{3}$H. We find that, with the state-of-the-art optimization of the nuclear Hamiltonian, the statistical uncertainty in the threshold $S$-factor cannot be reduced beyond 0.7%.

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arXiv2016

Uncertainty analysis and order-by-order optimization of chiral nuclear interactions

Chiral effective field theory (chiEFT) provides a systematic approach to describe low-energy nuclear forces. Moreover, chiEFT is able to provide well-founded estimates of statistical and systematic uncertainties -- although this unique advantage has not yet been fully exploited. We fill this gap by performing an optimization and statistical analysis of all the low-energy constants (LECs) up to next-to-next-to-leading order. Our optimization protocol corresponds to a simultaneous fit to scattering and bound-state observables in the pion-nucleon, nucleon-nucleon, and few-nucleon sectors, thereby utilizing the full model capabilities of chiEFT. We study the effect on other observables by demonstrating error-propagation methods that can easily be adopted by future works. We employ mathematical optimization and implement automatic differentiation to attain efficient and machine-precise first- and second-order derivatives of the objective function with respect to the LECs. We use power-counting arguments to estimate the systematic uncertainty that is inherent to chiEFT and we construct chiral interactions at different orders with quantified uncertainties. Statistical error propagation is compared with Monte Carlo sampling showing that statistical errors are in general small compared to systematic ones. In conclusion, we find that a simultaneous fit to different sets of data is critical to (i) identify the optimal set of LECs, (ii) capture all relevant correlations, (iii) reduce the statistical uncertainty, and (iv) attain order-by-order convergence in chiEFT. Furthermore, certain systematic uncertainties in the few-nucleon sector are shown to get substantially magnified in the many-body sector; in particlar when varying the cutoff in the chiral potentials. The methodology and results presented in this Paper open a new frontier for uncertainty quantification in ab initio nuclear theory.

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arXiv2015

Accurate nuclear radii and binding energies from a chiral interaction

With the goal of developing predictive ab-initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLO$_{\rm sat}$, yield accurate binding energies and radii of nuclei up to $^{40}$Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective $J^π=3^-$ states in $^{16}$O and $^{40}$Ca are described accurately, while spectra for selected $p$- and $sd$-shell nuclei are in reasonable agreement with experiment.

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arXiv2014

Uncertainty Quantification of the Pion-Nucleon Low-Energy Coupling Constants up to Fourth Order in Chiral Perturbation Theory

We extract the statistical uncertainties for the pion-nucleon ($πN$) low energy constants (LECs) up to fourth order $\mathcal{O}(Q^4)$ in the chiral expansion of the nuclear effective Lagrangian. The LECs are optimized with respect to experimental scattering data. For comparison, we also present an uncertainty quantification that is based solely on \pin{} scattering phase shifts. Statistical errors on the LECs are critical in order to estimate the subsequent uncertainties in \textit{ab initio} modeling of light and medium mass nuclei which exploit chiral effective field theory. As an example of the this, we present the first complete predictions with uncertainty quantification of peripheral phase shifts of elastic proton-neutron scattering.

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arXiv2014

Statistical uncertainties of a chiral interaction at next-to-next-to leading order

We have quantified the statistical uncertainties of the low-energy coupling-constants (LECs) of an optimized nucleon-nucleon (NN) interaction from chiral effective field theory ($χ$EFT) at next-to-next-to-leading order (NNLO). In addition, we have propagated the impact of the uncertainties of the LECs to two-nucleon scattering phase shifts, effective range parameters, and deuteron observables.

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