MADNESS
0.10.1
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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 |
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inline |
References a.
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inline |
References alpha1, and compute_gamma().
Implements AnsatzBase.
References Spinor::components, madness::copy(), and Spinor::world().
Implements AnsatzBase.
References alpha, Spinor::components, compute_gamma(), madness::constants::fine_structure_constant, madness::Vector< T, N >::normf(), pow(), and Z.
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inlinevirtual |
Implements AnsatzBase.
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inline |
References make_Hv().
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inlinevirtual |
Implements AnsatzBase.
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inlinevirtual |
Reimplemented from AnsatzBase.
References make_Hdiag(), and one1().
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inlinevirtual |
Reimplemented from AnsatzBase.
References make_Hdiag(), and one1().