Coupled-Cluster and Configuration-Interaction Calculations for Odd-A Heavy Nuclei

J. R. Gour, M. Horoi, P. Piecuch, and B. A. Brown
Phys. Rev. Lett. 101, 052501 – Published 30 July 2008

Abstract

We compare coupled-cluster (CC) and configuration-interaction (CI) results for Ni55 and Ni57 obtained in the pf-shell basis, focusing on the practical equation-of-motion (EOM) CC approximations that can be applied to systems with dozens of correlated fermions. The weight of the reference state and the strength of correlation effects are controlled by the gap between the f7/2 orbit and the f5/2, p3/2, p1/2 orbits. Independent of the gap, the CC methods with up to 2p2h components in the cluster operator and 3p2h/3h2p components in the EOMCC excitation operator are more accurate than the computationally more demanding CI approach with up to 3p3h excitations and almost as accurate as the even more demanding CI approach truncated at 4p4h excitations.

  • Received 3 March 2008

DOI:https://doi.org/10.1103/PhysRevLett.101.052501

©2008 American Physical Society

Authors & Affiliations

J. R. Gour1, M. Horoi2, P. Piecuch1,3,*, and B. A. Brown3

  • 1Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA
  • 2Department of Physics, Central Michigan University, Mount Pleasant, Michigan 48859, USA
  • 3Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824, USA

  • *piecuch@chemistry.msu.edu.

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Vol. 101, Iss. 5 — 1 August 2008

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