How to renormalize coupled cluster theory

Z. H. Sun, C. A. Bell, G. Hagen, T. Papenbrock

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

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.

Original languageEnglish
Article numberL061302
JournalPhysical Review C
Volume106
Issue number6
DOIs
StatePublished - Dec 2022

Funding

Acknowledgments. We thank C. Forssén, R. J. Furnstahl, H. Hergert, T. D. Morris, and D. R. Phillips for useful discussions, and U.-G. Meißner for bringing Ref. to our attention. 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 DE-SC0018223, and by the Quantum Science Center (QSC), a National Quantum Information Science Research Center of the U.S. Department of Energy (DOE). Computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) programme. This research used resources of the Oak Ridge Leadership Computing Facility located at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract No. DE-AC05-00OR22725. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. ( http://energy.gov/downloads/doe-public-access-plan ).

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