High-precision calculations for one- and two-valence atomic systems
Amplitudes::MEdata

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Result of a single matrix element calculation: the lowest-order value and each correction, separately.

Holds \( \redmatel{a}{h}{b} \) and its corrections,

\[ t^{\rm tot}_{ab} = t^{(0)}_{ab} + \delta V_{ab} + \delta t^{\rm SR}_{ab} + \delta t^{\rm Norm}_{ab}. \]

Everything is stored unscaled; the accessors apply the factor that converts the reduced matrix element to the requested form (reduced, stretched, or hyperfine constant); see DiracOperator::MatrixElementType.

#include <MatrixElements.hpp>

Public Member Functions

double value0 () const
 Lowest-order value: factor * t0.
 
double value () const
 Lowest-order + RPA: factor * (t0 + dv)
 
double total () const
 Full corrected value: factor * (t0 + dv + sr + norm)
 

Public Attributes

std::string a {}
 State labels (shortSymbol); a is the bra: <a||h||b>
 
std::string b {}
 
double omega {0.0}
 Transition frequency, e_a - e_b (0 for diagonal)
 
double factor {1.0}
 Factor converting reduced ME to requested MatrixElementType (1 for Reduced)
 
double t0 {0.0}
 Lowest-order reduced matrix element <a||h||b>
 
double dv {0.0}
 RPA correction <a||dV||b> (0 if no RPA)
 
bool has_rpa {false}
 True if an RPA correction was calculated (distinguishes from dv = 0)
 
double sr {0.0}
 Structure radiation: top + bottom + centre diagrams (0 if no SR)
 
double norm_factor {0.0}
 Normalisation of states factor, StructureRad::norm_factor (0 if no SR)
 
double norm {0.0}
 Normalisation of states: norm_factor * (t0 + dv) (0 if no SR)
 

Member Function Documentation

◆ value0()

double Amplitudes::MEdata::value0 ( ) const
inline

Lowest-order value: factor * t0.

◆ value()

double Amplitudes::MEdata::value ( ) const
inline

Lowest-order + RPA: factor * (t0 + dv)

◆ total()

double Amplitudes::MEdata::total ( ) const
inline

Full corrected value: factor * (t0 + dv + sr + norm)

Member Data Documentation

◆ a

std::string Amplitudes::MEdata::a {}

State labels (shortSymbol); a is the bra: <a||h||b>

◆ omega

double Amplitudes::MEdata::omega {0.0}

Transition frequency, e_a - e_b (0 for diagonal)

◆ factor

double Amplitudes::MEdata::factor {1.0}

Factor converting reduced ME to requested MatrixElementType (1 for Reduced)

◆ t0

double Amplitudes::MEdata::t0 {0.0}

Lowest-order reduced matrix element <a||h||b>

◆ dv

double Amplitudes::MEdata::dv {0.0}

RPA correction <a||dV||b> (0 if no RPA)

◆ has_rpa

bool Amplitudes::MEdata::has_rpa {false}

True if an RPA correction was calculated (distinguishes from dv = 0)

◆ sr

double Amplitudes::MEdata::sr {0.0}

Structure radiation: top + bottom + centre diagrams (0 if no SR)

◆ norm_factor

double Amplitudes::MEdata::norm_factor {0.0}

Normalisation of states factor, StructureRad::norm_factor (0 if no SR)

◆ norm

double Amplitudes::MEdata::norm {0.0}

Normalisation of states: norm_factor * (t0 + dv) (0 if no SR)


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