Site-occupation Green's function embedding theory: A density functional approach to dynamical impurity solvers
Year: 2019
Type: article
Abstract: A reformulation of site-occupation embedding theory (SOET) in terms of Green's functions is presented. Referred to as site-occupation Green's-function embedding theory (SOGET), this extension of density-functional theory for model Hamiltonians shares many features with dynamical mean-field theory but is formally exact (in any dimension). In SOGET, the impurity-interacting correlation potential becomes a density-functional self-energy which is frequency dependent and in principle nonlocal. A simple local-density-functional approximation (LDA) combining the Bethe ansatz LDA with the self-energy of the two-level Anderson model is constructed and successfully applied to the one-dimensional Hubbard model. Unlike in previous implementations of SOET, no many-body wave function is needed, thus reducing drastically the computational cost of the method.
Language: English
Subfield: Condensed Matter Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W3141072895