Collaboration diagram for mpqc::GFRealPole:

Documentation

Computes the real poles of a Green's function

Public Member Functions
	GFRealPole (const KeyVal &kv)
	The KeyVal constructor. More...

int	target () const

Public Member Functions inherited from mpqc::WavefunctionProperty< double >
	WavefunctionProperty (const KeyVal &kv)
	The KeyVal constructor. More...

void	evaluate () override

void	compute () override

Additional Inherited Members
Public Types inherited from mpqc::WavefunctionProperty< double >
using	base_type = math::TaylorExpansionFunction< double, MolecularCoordinates >

Protected Member Functions inherited from mpqc::WavefunctionProperty< double >
	WavefunctionProperty (const KeyVal &kv, double default_precision)
	The auxiliary KeyVal constructor. More...

const std::shared_ptr< Wavefunction > &	wfn () const

void	write (KeyVal &kv) const override

Constructor & Destructor Documentation

mpqc::GFRealPole::GFRealPole ( const KeyVal & kv )

explicit

The KeyVal constructor.

Parameters

kv

the KeyVal object, it will be queried for all keywords of the WavefunctionProperty class, as well as the following keywords:

Keyword	Type	Default	Description
target	int	-1	target pole index, defined relative to the Fermi level; e.g., -1 denotes the first pole below the Fermi level, +1 denotes the first one above. In practice the Wavefunction class may use this as a initial guess rather than try to guarantee the index of the computed pole; refer to the documentation of the appropriate Wavefunction class

Note: This constructor overrides the default target precision to 1e-4 $\sim 3~{\rm meV}$ .

int mpqc::GFRealPole::target ( ) const

Returns: the target pole index (see the KeyVal ctor of GFRealPole for the explanation).

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