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How to renormalize coupled cluster theory

Z. H. Sun1, C. A. Bell2, G. Hagen1,2, and T. Papenbrock2,1

  • 1Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 2Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996, USA

Phys. Rev. C 106, L061302 – Published 5 December, 2022

DOI: https://doi.org/10.1103/PhysRevC.106.L061302

Abstract

Coupled cluster theory is an attractive tool to solve the quantum many-body problem because its singles and doubles (CCSD) approximation is computationally affordable and yields about 90% of the correlation energy. Capturing the remaining 10%, e.g., via including triples, is numerically expensive. Here, we assume that short-range three-body correlations dominate and—following Lepage (arXiv:nucl-th/9706029)—that their effects can be included within CCSD by renormalizing the three-body contact interaction. We renormalize this contact in O16 and obtain systematically improved CCSD results for O24, Ne20–34, Ca40,48, Ni78, Zr90, and Sn100.

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