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Related Experiment Videos

Ab-initio coupled-cluster study of 16O.

M Włoch1, D J Dean, J R Gour

  • 1Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.

Physical Review Letters
|August 11, 2005
PubMed
Summary

We used advanced quantum chemistry methods to calculate properties of Oxygen-16. Coupled-cluster calculations show most binding energy is achieved with singles and doubles, with minimal contribution from triples.

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Area of Science:

  • Nuclear physics
  • Quantum chemistry

Background:

  • Accurate theoretical descriptions of atomic nuclei are crucial for understanding nuclear structure and reactions.
  • Quantum chemistry methods, particularly coupled-cluster theory, have shown promise in nuclear physics applications.

Purpose of the Study:

  • To compute ground and excited states, and matter density of Oxygen-16 using realistic nucleon-nucleon interactions.
  • To assess the contribution of three-body clusters (triples) within the coupled-cluster framework.

Main Methods:

  • Employed coupled-cluster methods and algorithms from quantum chemistry.
  • Utilized realistic two-body nucleon-nucleon interactions.
  • Performed converged calculations for ground and excited states.

Main Results:

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  • The coupled-cluster singles and doubles (CCSD) approach captures most of the binding energy for Oxygen-16.
  • The contribution of three-body clusters (triples) to the binding energy is minimal.
  • CCSD accurately describes matter density, charge radius, charge form factor, and one-particle, one-hole excited states.
  • CCSD fails to describe the first-excited 0(+) state, and including triples does not alter this.

Conclusions:

  • Coupled-cluster theory with singles and doubles provides a robust description of many Oxygen-16 properties.
  • Three-body cluster effects are found to be small for Oxygen-16 within this framework.
  • The inability to describe the first-excited 0(+) state highlights limitations of current CCSD approaches for certain nuclear excitations.