HaRPAResolv Class Reference

Class to define CIS or RPA Resolvent operator. More...

#include <harpaham.h>

List of all members.

Public Member Functions
bool	SetOpMode (const int imode)
bool	SetEnergy (const double NewEne)
bool	SetImag (const bool new_imag)
bool	Apply_Init (vector< HaRPAvec > &RPAvec) const
bool	Apply (vector< HaRPAvec > &RPAvec) const
vector< HaRPAvec >	solve (const vector< HaRPAvec > &CISvec) const
Protected Types
enum	OperMode { FULL = 0, MO_DIAG }
Protected Attributes
bool	imag
	flag to indicate that RPAvec is imaginary
double	Ene
	Energy for the Green Functions.
enum HaRPAResolv::OperMode	opmode

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Detailed Description

Class to define CIS or RPA Resolvent operator.

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Member Function Documentation

bool HaRPAResolv::Apply_Init (  vector< HaRPAvec > &  RPAvec  )  const

Apply Zero order approximation < (diagonal MO) RPA resolvent

bool HaRPAResolv::Apply (  vector< HaRPAvec > &  RPAvec  )  const

Apply RPA Resolvent < to the array of RPA vectors defined as

vector< HaRPAvec > HaRPAResolv::solve (  const vector< HaRPAvec > &  CISvec  )  const

Apply RPA Resolvent < in the given approximation

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Member Data Documentation

enum HaRPAResolv::OperMode HaRPAResolv::opmode [protected]

Code of approximation method used < to calculate resolvent matrix elements

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

• harpaham.h
• harpaham.cpp

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