Post processing

Detailed Description

Methods to compute spectral functions.

The momentum-resolved spectral function from the lattice Green's function: $$ A(\mathbf{k}, \omega) = -\frac{1}{\pi} \mathrm{Im} \mathrm{Tr}G_{\nu\nu'}(\mathbf{k}, \omega).$$

The atom- and orbital-resolved \(k\)-summed spectral function: $$ [A(\omega)]_{mm'} = -\frac{1}{\pi} \mathrm{Im} \Big [ \sum_{\mathbf{k}} \Theta_{m\nu}G_{\nu\nu'}(\mathbf{k}, \omega)\Theta_{m'\nu'}^{\dagger} \Big ].$$

Functions
spectral_function_w	triqs::modest::projected_spectral_function (one_body_elements_on_grid const &obe_theta, downfolding_projector const &Proj, double mu, block2_gf< mesh::refreq, matrix_valued > const &Sigma_w, double broadening=0.01)
	Compute the atom- and orbital-resolved spectral function (interacting density of states).
spectral_function_kw	triqs::modest::spectral_function_on_high_symmetry_path (one_body_elements_on_grid const &obe, double mu, block2_gf< mesh::refreq, matrix_valued > const &Sigma_w, double broadening=0.01)
	Compute momentum-resolved spectral function A(k, ω) along high-symmetry path.

Function Documentation

projected_spectral_function()

spectral_function_w triqs::modest::projected_spectral_function	(	one_body_elements_on_grid const &	obe_theta,
		downfolding_projector const &	Proj,
		double	mu,
		block2_gf< mesh::refreq, matrix_valued > const &	Sigma_w,
		double	broadening = 0.01
	)

#include <triqs_modest/postprocess.cpp>

Compute the atom- and orbital-resolved spectral function (interacting density of states).

Parameters

obe_theta	one-body elements on grid created from one_body_elements_with_theta_projectors (see obe factories).
Proj	downfolding_projector defined in the correlated space using to upfold the DMFT self-energies.
mu	chemical potential
Sigma_w	self-energy in real-frequencies
broadening	spectral broadening

Returns

spectral_function_w

Definition at line 30 of file postprocess.cpp.

spectral_function_on_high_symmetry_path()

spectral_function_kw triqs::modest::spectral_function_on_high_symmetry_path	(	one_body_elements_on_grid const &	obe,
		double	mu,
		block2_gf< mesh::refreq, matrix_valued > const &	Sigma_w,
		double	broadening = 0.01
	)

#include <triqs_modest/postprocess.cpp>

Compute momentum-resolved spectral function A(k, ω) along high-symmetry path.

Parameters

obe	one-body elements on grid created from one_body_elements_on_high_symmetry_path (see obe factories)
mu	chemical potential
Sigma_w	self-energy in real-frequencies
broadening	spectral broadening

Returns

spectral_function_kw

Definition at line 91 of file postprocess.cpp.