Converged ab initio calculations of heavy nuclei. Miyagi, T., Stroberg, S. R., Navrátil, P., Hebeler, K., & Holt, J. D. apr, 2021.

Paper abstract bibtex

Paper abstract bibtex

We propose a novel storage scheme for three-nucleon (3N) interaction matrix elements relevant for the normal-ordered two-body approximation used extensively in ab initio calculations of atomic nuclei. This scheme reduces the required memory by approximately two orders of magnitude, which allows the generation of 3N interaction matrix elements with the standard truncation of $E_{3\max}=28$, well beyond the previous limit of 18. We demonstrate that this is sufficient to obtain ground-state energies in $^{132}$Sn converged to within a few MeV with respect to the $E_{3\max}$ truncation. In addition, we study the asymptotic convergence behavior and perform extrapolations to the un-truncated limit. Finally, we investigate the impact of truncations made when evolving free-space 3N interactions with the similarity renormalization group. We find that the contribution of blocks with angular momentum $J_{m̊ rel}>9/2$ is dominated by a basis-truncation artifact which vanishes in the large-space limit, so these computationally expensive components can be neglected. For the two sets of nuclear interactions employed in this work, the resulting binding energy of $^{132}$Sn agrees with the experimental value within theoretical uncertainties. This work enables converged ab initio calculations of heavy nuclei.

@article{Miyagi2021, abstract = {We propose a novel storage scheme for three-nucleon (3N) interaction matrix elements relevant for the normal-ordered two-body approximation used extensively in ab initio calculations of atomic nuclei. This scheme reduces the required memory by approximately two orders of magnitude, which allows the generation of 3N interaction matrix elements with the standard truncation of $E_{3\max}=28$, well beyond the previous limit of 18. We demonstrate that this is sufficient to obtain ground-state energies in $^{132}$Sn converged to within a few MeV with respect to the $E_{3\max}$ truncation. In addition, we study the asymptotic convergence behavior and perform extrapolations to the un-truncated limit. Finally, we investigate the impact of truncations made when evolving free-space 3N interactions with the similarity renormalization group. We find that the contribution of blocks with angular momentum $J_{\rm rel}>9/2$ is dominated by a basis-truncation artifact which vanishes in the large-space limit, so these computationally expensive components can be neglected. For the two sets of nuclear interactions employed in this work, the resulting binding energy of $^{132}$Sn agrees with the experimental value within theoretical uncertainties. This work enables converged ab initio calculations of heavy nuclei.}, archivePrefix = {arXiv}, arxivId = {2104.04688}, author = {Miyagi, T. and Stroberg, S. R. and Navr{\'{a}}til, P. and Hebeler, K. and Holt, J. D.}, eprint = {2104.04688}, file = {:home/wolf/.local/share/data/Mendeley Ltd./Mendeley Desktop/Downloaded/Miyagi et al. - 2021 - Converged ab initio calculations of heavy nuclei.pdf:pdf}, month = {apr}, title = {{Converged ab initio calculations of heavy nuclei}}, url = {http://arxiv.org/abs/2104.04688}, year = {2021} }

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