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