Jump to content

Density matrix embedding theory

From Wikipedia, the free encyclopedia
This is an old revision of this page, as edited by 2601:2:4d00:27b:80f1:b60a:725d:609d (talk) at 17:27, 19 December 2014. The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

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.