triqs_modest.utils.dc

The implementation of the double counting correction within DFT+DMFT.

DFT+DMFT requires subtracting a “double counting” term \(\Sigma_{\mathrm{DC}}\) to avoid counting static correlations twice. ModEST abstracts this into a dedicated solver that computes \(\Sigma_{\mathrm{DC}}\) based on dirrect formulas.

We abstract phenomenological term into an additional “solver” that takes as input a Green’s function and returns the double counting correction to the self-energy and/or the doube counting correction to the total energy. This solver is useful for cases when the double counting can not be absorbed into the chemical potential (e.g., charge self-consistent DFT+DMFT d-p models, etc.).

Functions

dc_formulas

Double counting formulas.

Classes

DcSolver

Double counting "solver".