Parametric Namespace Reference

Set of two-parameter parametric electron potentials. More...

Enumerations
enum class	Type { Green , Tietz }

Functions
double	green (int Z, double r, double H, double d)
double	tietz (int Z, double r, double t, double g)
int	defaultGreenCore (int z, double &H, double &d)
	Returns "default" parameters H and d, given Z; tuned for core to match HF.
int	defaultGreen (int z, double &H, double &d)
	Returns "default" parameters H and d, given Z; tuned for valence to Exp.
int	defaultTietz (int z, double &g, double &t)
	Returns "default" parameters g and t, given Z; tuned for valence to Exp.
std::vector< double >	GreenPotential (int z, const std::vector< double > &r_array, double h, double d)
std::vector< double >	TietzPotential (int z, const std::vector< double > &r_array, double g, double t)

Detailed Description

Set of two-parameter parametric electron potentials.

Function Documentation

defaultGreenCore()

int Parametric::defaultGreenCore	(	int	z,
		double &	H,
		double &	d
	)

Returns "default" parameters H and d, given Z; tuned for core to match HF.

defaultGreen()

int Parametric::defaultGreen	(	int	z,
		double &	H,
		double &	d
	)

Returns "default" parameters H and d, given Z; tuned for valence to Exp.

defaultTietz()

int Parametric::defaultTietz	(	int	z,
		double &	g,
		double &	t
	)

Returns "default" parameters g and t, given Z; tuned for valence to Exp.