English

Many-body approximations for atomic binding energies

Atomic Physics 2012-08-31 v2 Quantum Gases Nuclear Theory

Abstract

We benchmark three standard approximations for the many-body problem -- the Hartree-Fock, projected Hartree-Fock, and random phase approximations -- against full numerical configuration-interaction calculations of the electronic structure of atoms, from Li through to Ne. These configuration-interaction calculations used up to 2×1082 \times 10^8 uncoupled basis states, equivalent to 107 10^7 coupled basis states (configuration state functions.) Each method uses exactly the same input, i.e., the same single-particle basis and Coulomb matrix elements, so any differences are strictly due to the approximation itself. Although it consistently overestimates the ground state binding energy, the random phase approximation has the smallest overall errors; furthermore, we suggest it may be useful as a method for efficient optimization of single-particle basis functions.

Keywords

Cite

@article{arxiv.1111.3998,
  title  = {Many-body approximations for atomic binding energies},
  author = {Micah D. Schuster and Calvin W. Johnson and Joshua T. Staker},
  journal= {arXiv preprint arXiv:1111.3998},
  year   = {2012}
}

Comments

12 pages, 4 figures; slight revision to text and added new data

R2 v1 2026-06-21T19:37:21.841Z