NuLattice: Ab initio computations of atomic nuclei on lattices

ORAL

Abstract

This talk introduces NuLattice, a Python software package for ab initio computations of atomic nuclei on lattices. The computational tools consist of Hartree Fock, the coupled-cluster method, the in-medium similarity renormalization group, and full configuration interaction. At present, the employed interactions are from pion-less effective field theory at leading order and consist of two-body and three-body contacts. We present results for light nuclei 2H, 3,4He, 8Be, 12C, and 16O. NuLattice algorithms exploit the sparsity and locality of lattice interactions, and as a result computations can be run on laptops. This approach yielded analytical insights about the exactness of the normal-ordered two-body approximation, where contributions of three-nucleon forces are truncated at the two-body rank after normal ordering with respect to a product state. On the lattice, the normal-ordered two-body truncation is exact for zero-range three-body forces when nuclei are computed using the coupled cluster with singles and doubles method. As the nuclear three-nucleon force is short ranged and a three-body contact is a leading term in effective field theories of quantum chromodynamics, this result provides an analytical basis for the popular normal-ordered two-body approximation.

*This work was supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Award Nos. DE-FG02-96ER40963 and under the FRIB Theory Alliance award DE-SC0013617; by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research and Office of Nuclear Physics, Scientific Discovery through Advanced Computing (SciDAC) program (SciDAC-5 NUCLEI); and by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. Oak Ridge National Laboratory is supported by the Office of Science of the Department of Energy under contract No. DE-AC05-00OR22725. This research used resources of the Oak Ridge Leadership Computing Facility located at Oak Ridge National Laboratory.

Publication: Maxwell Rothman, Ben Johnson-Toth, Gaute Hagen, Matthias Heinz, and Thomas Papenbrock, "NuLattice: Ab initio computations of atomic nuclei on lattices," arXiv:2509.08771

Maxwell Rothman, Ben Johnson-Toth, Francesca Bonaiti, Gaute Hagen, Matthias Heinz, Thomas Papenbrock, "Exactness of the normal-ordered two-body truncation of three-nucleon forces," arXiv:2508.01507.

Presenters

  • Thomas Papenbrock

    • University of Tennessee

Authors

  • Thomas Papenbrock

    • University of Tennessee
  • Gaute Hagen

    • Oak Ridge National Laboratory
  • Matthias Heinz

    • Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • Francesca Bonaiti

    • Facility for Rare Isotope Beams and Oak Ridge National Lab
  • Maxwell Rothman

    • University of Tennessee
  • Benjamin Johnson-Toth

    • University of Tennessee