Jump to content

Density matrix embedding theory

From Wikipedia, the free encyclopedia
This is an old revision of this page, as edited by Osirpt (talk | contribs) at 14:02, 11 October 2014 (Created page with 'The density matrix embedding theory (DMET) is a numerical technique to solve strongly correlated electronic structure problems. By mapping the system to a fragm...'). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.
(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

The density matrix embedding theory (DMET) is a numerical technique to solve strongly correlated electronic structure problems. By mapping the system to a fragment plus its entangled quantum bath, the local electron correlation effects on the fragment can be accurately modelled by a post-Hartree-Fock solver. This method has shown high-quality results in 1D- and 2D- Hubbard models.