votca::xtp::Sigma_Exact Class Reference

#include <sigma_exact.h>

Inheritance diagram for votca::xtp::Sigma_Exact:

Collaboration diagram for votca::xtp::Sigma_Exact:

Public Member Functions
	Sigma_Exact (TCMatrix_gwbse &Mmn, RPA &rpa)
void	PrepareScreening () final
double	CalcCorrelationDiagElement (Index gw_level, double frequency) const final
double	CalcCorrelationDiagElementDerivative (Index gw_level, double frequency) const final
double	CalcCorrelationOffDiagElement (Index gw_level1, Index gw_level2, double frequency1, double frequency2) const final
Public Member Functions inherited from votca::xtp::Sigma_base
	Sigma_base (TCMatrix_gwbse &Mmn, const RPA &rpa)
virtual	~Sigma_base ()=default
void	configure (options opt)
Eigen::MatrixXd	CalcExchangeMatrix () const
Eigen::VectorXd	CalcCorrelationDiag (const Eigen::VectorXd &frequencies) const
Eigen::MatrixXd	CalcCorrelationOffDiag (const Eigen::VectorXd &frequencies) const

Private Member Functions
Eigen::MatrixXd	CalcResidues (Index gw_level, const Eigen::MatrixXd &XpY) const

Private Attributes
Eigen::VectorXd	rpa_omegas_
std::vector< Eigen::MatrixXd >	residues_

Additional Inherited Members
Protected Attributes inherited from votca::xtp::Sigma_base
options	opt_
TCMatrix_gwbse &	Mmn_
const RPA &	rpa_
Index	qptotal_ = 0
Index	rpatotal_ = 0

Detailed Description

Definition at line 33 of file sigma_exact.h.

Constructor & Destructor Documentation

Sigma_Exact()

votca::xtp::Sigma_Exact::Sigma_Exact ( TCMatrix_gwbse & Mmn, RPA & rpa )

inline

Definition at line 36 of file sigma_exact.h.

Member Function Documentation

CalcCorrelationDiagElement()

double votca::xtp::Sigma_Exact::CalcCorrelationDiagElement ( Index gw_level, double frequency ) const

finalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 40 of file sigma_exact.cc.

CalcCorrelationDiagElementDerivative()

double votca::xtp::Sigma_Exact::CalcCorrelationDiagElementDerivative ( Index gw_level, double frequency ) const

finalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 59 of file sigma_exact.cc.

CalcCorrelationOffDiagElement()

double votca::xtp::Sigma_Exact::CalcCorrelationOffDiagElement ( Index gw_level1, Index gw_level2, double frequency1, double frequency2 ) const

finalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 78 of file sigma_exact.cc.

CalcResidues()

Eigen::MatrixXd votca::xtp::Sigma_Exact::CalcResidues ( Index gw_level, const Eigen::MatrixXd & XpY ) const

private

Definition at line 108 of file sigma_exact.cc.

PrepareScreening()

void votca::xtp::Sigma_Exact::PrepareScreening ( )

finalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 29 of file sigma_exact.cc.

Member Data Documentation

residues_

std::vector<Eigen::MatrixXd> votca::xtp::Sigma_Exact::residues_

private

Definition at line 53 of file sigma_exact.h.

rpa_omegas_

Eigen::VectorXd votca::xtp::Sigma_Exact::rpa_omegas_

private

Definition at line 52 of file sigma_exact.h.

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The documentation for this class was generated from the following files:

• xtp/src/libxtp/self_energy_evaluators/sigma_exact.h
• xtp/src/libxtp/self_energy_evaluators/sigma_exact.cc