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arxiv:2610.03569

Consistent perturbation expansions in screened interactions

Published on Oct 2
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Abstract

Many-body perturbation theory expansions around Kohn-Sham systems yield accurate energies and spectra, with exact Kohn-Sham ingredients providing particularly reliable results across correlation strengths.

Many-body perturbation theory is a powerful framework to calculate spectroscopic quantities, as well as the total energy. However, the field suffers from the fact that different flavors of approximations lead to a wide range of results. We present several in principle exact expansions and discuss how to use them consistently. We concentrate on the first two orders in the respective screened Coulomb interaction. Of special interest is a consistent expansion around the Kohn-Sham system. We illustrate the performance of the various choices using the symmetric Hubbard dimer over a wide range of correlation strength. In particular, the expansion based on exact Kohn-Sham ingredients stands out as a promising route towards good energies and good spectra.

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