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

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Result of a matrix element calculation with second-order MBPT corrections: structure radiation, normalisation, Brueckner orbital.

Everything is stored unscaled; the accessors apply the MatrixElementType factor. The total corrected matrix element is

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

#include <MatrixElements.hpp>

Public Member Functions

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

Public Attributes

std::string a {}
 State labels (shortSymbol); a is the bra: <a||h||b>
 
std::string b {}
 
double omega {0.0}
 Frequency the corrections were evaluated at.
 
double factor {1.0}
 Factor converting reduced ME to requested MatrixElementType.
 
double t0 {0.0}
 Lowest-order reduced matrix element <a||h||b>
 
double dv {0.0}
 RPA correction (0 if no RPA)
 
double sr {0.0}
 Structure radiation (top + bottom + centre diagrams)
 
double norm {0.0}
 Normalisation of states: (f_norm_a + f_norm_b) * (t0 + dv)
 
double bo {0.0}
 Brueckner orbital correction (0 if legs are already Brueckner); includes the frequency-derivative term for freq-dependent operators.
 
bool has_rpa {false}
 True if an RPA correction was calculated.
 

Member Function Documentation

◆ value0()

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

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

◆ total()

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

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

Member Data Documentation

◆ a

std::string Amplitudes::SRNdata::a {}

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

◆ omega

double Amplitudes::SRNdata::omega {0.0}

Frequency the corrections were evaluated at.

◆ factor

double Amplitudes::SRNdata::factor {1.0}

Factor converting reduced ME to requested MatrixElementType.

◆ t0

double Amplitudes::SRNdata::t0 {0.0}

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

◆ dv

double Amplitudes::SRNdata::dv {0.0}

RPA correction (0 if no RPA)

◆ sr

double Amplitudes::SRNdata::sr {0.0}

Structure radiation (top + bottom + centre diagrams)

◆ norm

double Amplitudes::SRNdata::norm {0.0}

Normalisation of states: (f_norm_a + f_norm_b) * (t0 + dv)

◆ bo

double Amplitudes::SRNdata::bo {0.0}

Brueckner orbital correction (0 if legs are already Brueckner); includes the frequency-derivative term for freq-dependent operators.

◆ has_rpa

bool Amplitudes::SRNdata::has_rpa {false}

True if an RPA correction was calculated.


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