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