Comparative analysis of methods for calculating Hubbard parameters using cRPA
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DOI: 10.1103/physrevb.111.195144
Abstract: In this study, we present a systematic comparison of various approaches within the constrained random-phase approximation (cRPA) for calculating the Coulomb interaction parameter $U$. While defining the correlated space is straightforward for disentangled bands, the… read more here.
Keywords: correlated space; analysis; methods calculating; hubbard parameters ... See more keywords