double_counting.hpp File Reference

#include <nda/nda.hpp>
#include "utils/defs.hpp"
#include "triqs/gfs.hpp"

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Classes
class	triqs::modest::dc_solver
	Double counting "solver" implements the double counting correction for DFT+DMFT, which is a phenomenlogical introduced double counting the interactions already taken into account at the mean-field level within DFT. This class implements several double counting formulas (all of which are functions of the density) relevant for different scenarios. More...

Namespaces
namespace	triqs
namespace	triqs::modest

Functions
std::pair< double, double >	triqs::modest::dc_formulas (std::string const method, double const N_tot, double const N_sigma, long const n_orb, double const U, double const J)
	double counting formulas parameterized by density, U, and J
std::pair< nda::array< nda::matrix< double >, 2 >, nda::matrix< double > >	triqs::modest::double_counting (nda::array< nda::matrix< dcomplex >, 2 > const &density_matrix, double U_int, double J_hund, std::string const method)
	compute double counting correction for a dc_type (method) from the density matrix of a Green's function.