Ansatz0 Struct Reference

Inheritance diagram for Ansatz0:

Collaboration diagram for Ansatz0:

Public Member Functions
	Ansatz0 (const double nuclear_charge)
double	energy () const
Spinor	make_bra (const Spinor &ket) const
Spinor	make_guess (World &world) const
MatrixOperator	make_Hd (World &world) const
MatrixOperator	make_Hv (World &world) const
std::string	name () const
MatrixOperator	R (World &world) const
MatrixOperator	Rinv (World &world) const
Public Member Functions inherited from AnsatzBase
	AnsatzBase (const double Z, const double a)
virtual std::string	filename () const
double	get_cusp_a () const
virtual std::vector< Spinor >	make_vbra (const std::vector< Spinor > &ket) const
virtual double	mu (const double energy) const
virtual void	normalize (Spinor &bra, Spinor &ket) const
virtual void	normalize (Spinor &ket) const
virtual void	normalize (std::vector< Spinor > &bra, std::vector< Spinor > &ket) const
virtual void	normalize (std::vector< Spinor > &ket) const

Additional Inherited Members
Public Attributes inherited from AnsatzBase
double	a =-1.3
int	iansatz =0
double	nuclear_charge =0.0

Constructor & Destructor Documentation

Ansatz0()

Ansatz0::Ansatz0 ( const double  nuclear_charge )

inline

References AnsatzBase::a, and AnsatzBase::iansatz.

Member Function Documentation

energy()

double Ansatz0::energy ( ) const

inline

References alpha1, compute_gamma(), and AnsatzBase::nuclear_charge.

make_bra()

Spinor Ansatz0::make_bra ( const Spinor &  ket ) const

inlinevirtual

Implements AnsatzBase.

References Spinor::components, copy(), and Spinor::world().

make_guess()

Spinor Ansatz0::make_guess ( World &  world ) const

inlinevirtual

Implements AnsatzBase.

References alpha, Spinor::components, compute_gamma(), madness::constants::fine_structure_constant, madness::Vector< T, N >::normf(), AnsatzBase::nuclear_charge, one(), and Z.

make_Hd()

MatrixOperator Ansatz0::make_Hd ( World &  world ) const

inlinevirtual

Implements AnsatzBase.

References alpha1.

make_Hv()

MatrixOperator Ansatz0::make_Hv ( World &  world ) const

inline

References AnsatzBase::nuclear_charge.

name()

std::string Ansatz0::name ( ) const

inlinevirtual

Implements AnsatzBase.

R()

MatrixOperator Ansatz0::R ( World &  world ) const

inlinevirtual

Reimplemented from AnsatzBase.

References make_Hdiag(), one(), and one1().

Rinv()

MatrixOperator Ansatz0::Rinv ( World &  world ) const

inlinevirtual

Reimplemented from AnsatzBase.

References make_Hdiag(), one(), and one1().

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The documentation for this struct was generated from the following file:

• dirac-hatom.cc