Many-body expansion for light nuclear systems

Theodore Depastas, George A. Souliotis, Demeter Tzeli, and Sotiris S. Xantheas
Phys. Rev. C 107, 044004 – Published 18 April 2023

Abstract

We extend the many-body expansion (MBE), previously applied to hydrogen bonded and molecular systems, to the light nuclear systems H3 and He3 by considering the nucleonic degrees of freedom as fundamental in the expansion. The analysis is based on the Pauli nucleonic dynamics (PND) model, a simple antisymmetrized dynamical code, inspired by the sophisticated constrained molecular dynamics (CoMD) model. The total energy of the H2 nucleus is calculated with this model at −2.312 MeV, which is within 4% of the experimental value of −2.225 MeV. The application of the MBE yields results for the three-body term in the H3 nucleus that is comparable with previous estimates, while it is reported for the first time for the nucleus of He3. The energies of H3 and He3 that include the sum of the one- and two-body terms with the model are 6.97±0.21 MeV and 6.19±0.21 MeV and the three-body terms, estimated from the difference of the sum of the one- and two-body terms from the experimentally measured energies, are 1.51±0.21 MeV and 1.53±0.21 MeV, respectively. The MBE for the H3 and He3 nuclei is qualitatively similar to the one previously reported for the water trimer: the two- and three-body terms are negative with the latter amounting to 3% of the former. Additionally, the three-body terms correspond to about 16–23% of the total energy of the bound systems, a percentage that is also comparable to the one in the water trimer (17%). In this manner, the MBE analysis can be applied to light nuclear systems following the same protocol as the one that has been previously extensively used for hydrogen bonded molecular systems.

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  • Received 19 November 2022
  • Revised 27 February 2023
  • Accepted 24 March 2023

DOI:https://doi.org/10.1103/PhysRevC.107.044004

©2023 American Physical Society

Physics Subject Headings (PhySH)

Nuclear Physics

Authors & Affiliations

Theodore Depastas1,2,*, George A. Souliotis1,†, Demeter Tzeli1,2, and Sotiris S. Xantheas3,4,‡

  • 1Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens 15771, Greece
  • 2Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos Constantinou Avenue, Athens 11635, Greece
  • 3Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MSIN J7-10, Richland, Washington 99352, USA
  • 4Department of Chemistry, University of Washington, Seattle, Washington 98195, USA

  • *Present address: Cyclotron Institute, Texas A&M University, College Station, TX 77843, USA.
  • soulioti@chem.uoa.gr
  • sotiris.xantheas@pnnl.gov;xantheas@uw.edu

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Issue

Vol. 107, Iss. 4 — April 2023

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