Benchmarking projected Hartree-Fock as an approximation
Abstract
We benchmark angular-momentum projected{-after-variation} Hartree-Fock calculations as an approximation to full configuration-interaction results in a shell model basis. For such a simple approximation we find reasonably good agreement between excitation spectra, including for many odd- and odd-odd nuclides. We frequently find shape coexistence, in the form of multiple Hartree-Fock minima; {mixing in shape coexistence, the first step beyond single-reference projected Hartree-Fock}, demonstrably improves the spectrum in the - and -shells. The complex spectra of germanium isotopes present a challenge: for even the spectra are only moderately good and those of odd bear little resemblance to the configuration-interaction results. Despite this failure we are able to broadly reproduce the odd-even staggering of ground state binding energies, save for germanium isotopes with . To illustrate potential applications, we compute the spectrum of the recently measured dripline nuclide Mg. All in all, projected Hartree-Fock often provides a better description of low-lying nuclear spectra than one might expect. Key to this is the use of gradient descent and unrestricted shapes.
Cite
@article{arxiv.2104.03455,
title = {Benchmarking projected Hartree-Fock as an approximation},
author = {Stephanie M. Lauber and Hayden C. Frye and Calvin W. Johnson},
journal= {arXiv preprint arXiv:2104.03455},
year = {2021}
}
Comments
21 pages, 11 figures, 2 tables