Abstract:A range-separation of the Coulomb hole into two components, one of them being predominant at long interelectronic separations (h c I ) and the other at short distances (h c II ), is exhaustively analyzed throughout various examples that put forward the most relevant features of this approach and how they can be used to develop efficient ways to capture electron correlation. We show that h c I , which only depends on the first-order reduced density matrix, can be used to identify molecules with a predominant no… Show more
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