Scrutinizing $GW$-based methods using the Hubbard dimer
Abstract
Using the simple (symmetric) Hubbard dimer, we analyze some important features of the approximation. We show that the problem of the existence of multiple quasiparticle solutions in the (perturbative) one-shot method and its partially self-consistent version is solved by full self-consistency. We also analyze the neutral excitation spectrum using the Bethe-Salpeter equation (BSE) formalism within the standard approximation and find, in particular, that i) some neutral excitation energies become complex when the electron-electron interaction increases, which can be traced back to the approximate nature of the quasiparticle energies; ii) the BSE formalism yields accurate correlation energies over a wide range of when the trace (or plasmon) formula is employed; iii) the trace formula is sensitive to the occurrence of complex excitation energies (especially singlet), while the expression obtained from the adiabatic-connection fluctuation-dissipation theorem (ACFDT) is more stable (yet less accurate); iv) the trace formula has the correct behavior for weak (\ie, small ) interaction, unlike the ACFDT expression.
Keywords
Cite
@article{arxiv.2108.00311,
title = {Scrutinizing $GW$-based methods using the Hubbard dimer},
author = {Stefano Di Sabatino and Pierre-François Loos and Pina Romaniello},
journal= {arXiv preprint arXiv:2108.00311},
year = {2021}
}
Comments
12 pages, 4 figures