Householder-transformed density matrix functional embedding theory
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DOI: 10.1103/physrevb.104.035121
Abstract: Quantum embedding based on the (one-electron reduced) density matrix is revisited by means of the unitary Householder transformation. While being exact and equivalent to (but formally simpler than) density matrix embedding theory (DMET) in the… read more here.
Keywords: householder transformed; density matrix; density; embedding theory ... See more keywords