votca::xtp::Sigma_CDA Class Reference

#include <sigma_cda.h>

Inheritance diagram for votca::xtp::Sigma_CDA:

Collaboration diagram for votca::xtp::Sigma_CDA:

Public Member Functions
	Sigma_CDA (TCMatrix_gwbse &Mmn, RPA &rpa)
	~Sigma_CDA ()=default
void	PrepareScreening () final
double	CalcCorrelationDiagElement (Index gw_level, double frequency) const final
double	CalcCorrelationDiagElementDerivative (Index gw_level, double frequency) const final
double	CalcCorrelationOffDiagElement (Index, Index, double, double) 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
virtual void	PrepareScreening ()=0
virtual double	CalcCorrelationDiagElementDerivative (Index gw_level, double frequency) const =0
virtual double	CalcCorrelationDiagElement (Index gw_level, double frequency) const =0
virtual double	CalcCorrelationOffDiagElement (Index gw_level1, Index gw_level2, double frequency1, double frequency2) const =0

Private Member Functions
double	CalcResiduePrefactor (double e_f, double e_m, double frequency) const
double	CalcResidueContribution (double frequency, Index gw_level) const
double	CalcDiagContribution (const Eigen::MatrixXd::ConstRowXpr &Imx_row, double delta, double eta) const
double	CalcDiagContributionValue_tail (const Eigen::MatrixXd::ConstRowXpr &Imx_row, double delta, double alpha) const

Private Attributes
ImaginaryAxisIntegration	gq_
Eigen::MatrixXd	kDielMxInv_zero_

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 38 of file sigma_cda.h.

Constructor & Destructor Documentation

Sigma_CDA()

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

inline

Definition at line 41 of file sigma_cda.h.

~Sigma_CDA()

votca::xtp::Sigma_CDA::~Sigma_CDA ( )

default

Member Function Documentation

CalcCorrelationDiagElement()

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

finalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 121 of file sigma_cda.cc.

CalcCorrelationDiagElementDerivative()

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

inlinefinalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 56 of file sigma_cda.h.

CalcCorrelationOffDiagElement()

double votca::xtp::Sigma_CDA::CalcCorrelationOffDiagElement ( Index  , Index  , double  , double    ) const

inlinefinalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 64 of file sigma_cda.h.

CalcDiagContribution()

double votca::xtp::Sigma_CDA::CalcDiagContribution ( const Eigen::MatrixXd::ConstRowXpr &  Imx_row, double  delta, double  eta  ) const

private

Definition at line 52 of file sigma_cda.cc.

CalcDiagContributionValue_tail()

double votca::xtp::Sigma_CDA::CalcDiagContributionValue_tail ( const Eigen::MatrixXd::ConstRowXpr &  Imx_row, double  delta, double  alpha  ) const

private

Definition at line 131 of file sigma_cda.cc.

CalcResidueContribution()

double votca::xtp::Sigma_CDA::CalcResidueContribution ( double  frequency, Index  gw_level  ) const

private

Definition at line 82 of file sigma_cda.cc.

CalcResiduePrefactor()

double votca::xtp::Sigma_CDA::CalcResiduePrefactor ( double  e_f, double  e_m, double  frequency  ) const

private

Definition at line 64 of file sigma_cda.cc.

PrepareScreening()

void votca::xtp::Sigma_CDA::PrepareScreening ( )

finalvirtual

Implements votca::xtp::Sigma_base.

Definition at line 30 of file sigma_cda.cc.

Member Data Documentation

gq_

ImaginaryAxisIntegration votca::xtp::Sigma_CDA::gq_

private

Definition at line 85 of file sigma_cda.h.

kDielMxInv_zero_

Eigen::MatrixXd votca::xtp::Sigma_CDA::kDielMxInv_zero_

private

Definition at line 86 of file sigma_cda.h.

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

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