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Title: Randomized low-rank decompositions of nuclear three-body interactions

Journal Article · · Physical Review Research
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [1]; ORCiD logo [6]
  1. Technical Univ. of Darmstadt (Germany); GSI-Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany); Max Planck Inst. fuer Kernphysik, Heidelberg (Germany)
  2. Technical Univ. of Darmstadt (Germany); GSI-Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany); Helmholtz Research Academy Hesse for FAIR (HFHF), Giessen (Germany); Université Paris-Saclay, Orsay (France); Centre National de la Recherche Scientifique (CNRS) (France)
  3. Technical Univ. of Darmstadt (Germany); GSI-Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany); Max Planck Inst. fuer Kernphysik, Heidelberg (Germany); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
  4. Technical Univ. of Darmstadt (Germany); GSI-Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany)
  5. Technical Univ. of Darmstadt (Germany); GSI-Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany); Max Planck Inst. fuer Kernphysik, Heidelberg (Germany); Univ. of Tsukuba (Japan)
  6. Technical Univ. of Darmstadt (Germany); GSI-Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany); Univ. Paris-Saclay (France); Commissariat a l'Energie Atomique (CEA) (France)

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 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.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Science (SC), Nuclear Physics (NP)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
2498432
Journal Information:
Physical Review Research, Journal Name: Physical Review Research Journal Issue: 4 Vol. 6; ISSN 2643-1564
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (64)

The density-matrix renormalization group in the age of matrix product states journal January 2011
Ab initio path to heavy nuclei journal September 2014
Hartree–Fock many-body perturbation theory for nuclear ground-states journal May 2016
Bogoliubov many-body perturbation theory for open-shell nuclei journal November 2018
Low-rank matrix decompositions for ab initio nuclear structure journal October 2021
Combining the in-medium similarity renormalization group with the density matrix renormalization group: Shell structure and information entropy journal October 2023
Towards heavy-mass ab initio nuclear structure: Open-shell Ca, Ni and Sn isotopes from Bogoliubov coupled-cluster theory journal April 2024
Spectroscopy of N = 50 isotones with the valence-space density matrix renormalization group journal August 2024
The In-Medium Similarity Renormalization Group: A novel ab initio method for nuclei journal March 2016
Three-nucleon forces: Implementation and applications to atomic nuclei and dense matter journal January 2021
Self-consistent Green's function method for nuclei and nuclear matter journal April 2004
Ab initio no core shell model journal March 2013
Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition journal April 2019
Ab initio predictions link the neutron skin of 208Pb to nuclear forces journal August 2022
Singular value decomposition approach for the approximate coupled-cluster method journal October 2003
Tensor decomposition in post-Hartree–Fock methods. I. Two-electron integrals and MP2 journal February 2011
Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2 journal March 2013
Tensor decomposition in post-Hartree–Fock methods. II. CCD implementation journal December 2013
Tensor-structured coupled cluster theory journal November 2017
Rank reduced coupled cluster theory. I. Ground state energies and wavefunctions journal April 2019
The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges journal January 2020
Quintic-scaling rank-reduced coupled cluster theory with single and double excitations journal January 2022
Coupled-cluster computations of atomic nuclei journal September 2014
Density matrix renormalization group and wavefunction factorization for nuclei journal July 2005
Novel chiral Hamiltonian and observables in light and medium-mass nuclei journal January 2020
Charge radii of exotic neon and magnesium isotopes journal November 2020
Accurate bulk properties of nuclei from A = 2 to ∞ from potentials with Δ isobars journal November 2020
In-medium similarity renormalization group with three-body operators journal April 2021
Singular value decomposition and similarity renormalization group evolution of nuclear interactions journal October 2021
Converged ab initio calculations of heavy nuclei journal January 2022
Gorkov algebraic diagrammatic construction formalism at third order journal April 2022
Angular-momentum projection in coupled-cluster theory: Structure of Mg34 journal June 2022
Deformed in-medium similarity renormalization group journal June 2022
Least-square approach for singular value decompositions of scattering problems journal August 2022
Normal ordering of three-nucleon interactions for ab initio calculations of heavy nuclei journal February 2023
Faddeev equations with three-nucleon force in momentum space journal December 1991
Improved nuclear matter calculations from chiral low-momentum interactions journal March 2011
Chiral two- and three-nucleon forces along medium-mass isotope chains journal June 2014
Three-nucleon forces and spectroscopy of neutron-rich calcium isotopes journal August 2014
Magnus expansion and in-medium similarity renormalization group journal September 2015
Advanced density matrix renormalization group method for nuclear structure calculations journal November 2015
Tensor-decomposition techniques for ab initio nuclear structure calculations: From chiral nuclear potentials to ground-state energies journal March 2019
Can Tetraneutron be a Narrow Resonance? journal July 2017
Structure of the Lightest Tin Isotopes journal April 2018
Chiral Interactions up to Next-to-Next-to-Next-to-Leading Order and Nuclear Saturation journal January 2019
Ab Initio Computation of Charge Densities for Sn and Xe Isotopes journal October 2020
Ab Initio Limits of Atomic Nuclei journal January 2021
Density matrix formulation for quantum renormalization groups journal November 1992
Colloquium : Three-body forces: From cold atoms to nuclei journal January 2013
Quantum Monte Carlo methods for nuclear physics journal September 2015
Tensor Decompositions and Applications journal August 2009
Finding Structure with Randomness: Probabilistic Algorithms for Constructing Approximate Matrix Decompositions journal January 2011
Pre-processing the nuclear many-body problem: Importance truncation versus tensor factorization techniques journal June 2019
Multi-reference many-body perturbation theory for nuclei: I. Novel PGCM-PT formalism journal April 2022
Multi-reference many-body perturbation theory for nuclei: II. Ab initio study of neon isotopes via PGCM and IM-NCSM calculations journal April 2022
Multi-reference many-body perturbation theory for nuclei: III. Ab initio calculations at second order in PGCM-PT journal April 2022
Modewise Johnson–Lindenstrauss embeddings for nuclear many-body theory journal May 2023
NuHamil : A numerical code to generate nuclear two- and three-body matrix elements from chiral effective field theory journal July 2023
Nonempirical Interactions for the Nuclear Shell Model: An Update journal October 2019
Nuclear Forces and Their Impact on Neutron-Rich Nuclei and Neutron-Rich Matter journal October 2015
Nucleon-Nucleon Scattering Up to N5LO in Chiral Effective Field Theory journal March 2020
High-Precision Nuclear Forces From Chiral EFT: State-of-the-Art, Challenges, and Outlook journal April 2020
Many-Body Perturbation Theories for Finite Nuclei journal June 2020
A Guided Tour of ab initio Nuclear Many-Body Theory journal October 2020