#include <sigma_base.h>

Collaboration diagram for votca::xtp::Sigma_base::DiagPoleForm:

Public Attributes
ExactPoles	poles
const double *	residues
const double *	mode_factors
double	prefactor

Detailed Description

Pole form of the diagonal correlation self-energy (ppm and exact): Sigma_c,nn(w) = prefactor sum_{m,s} c_s r_n(m,s)^2 f(w - z_ms), z_ms = e_m - Omega_s (m occupied), e_m + Omega_s (m virtual), f(t) = t / (t^2 + eta^2), with r_n = residues (B x S, column-major), c_s = mode_factors (nullptr: all 1). The references point into the evaluator and the RPA; they are valid until the next PrepareScreening or RPA energy update.

Definition at line 142 of file sigma_base.h.

Member Data Documentation

◆ mode_factors

const double* votca::xtp::Sigma_base::DiagPoleForm::mode_factors

Definition at line 145 of file sigma_base.h.

◆ poles

ExactPoles votca::xtp::Sigma_base::DiagPoleForm::poles

Definition at line 143 of file sigma_base.h.

◆ prefactor

double votca::xtp::Sigma_base::DiagPoleForm::prefactor

Definition at line 146 of file sigma_base.h.

◆ residues

const double* votca::xtp::Sigma_base::DiagPoleForm::residues

Definition at line 144 of file sigma_base.h.

The documentation for this struct was generated from the following file:

xtp/include/votca/xtp/sigma_base.h