Many-body approximations for atomic binding energies

Details Many-body approximations for atomic binding energies Many-body approximations for atomic binding energies

2011-11-17

arxiv.org/abs/1111.3998v1

Physics

Atomic Physics

11 pages, 4 figures

Scientific paper

We benchmark three 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. 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.

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