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High-precision calculations for one- and two-valence atomic systems
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Result of a single matrix element calculation.
Holds \( \redmatel{a}{h}{b} \): the lowest-order value, the RPA (core polarisation) correction, the transition frequency, and the factor that converts the reduced matrix element to the requested form (reduced, stretched, or hyperfine constant); see DiracOperator::MatrixElementType.
Everything is stored unscaled; value() and value0() apply the factor.
#include <MatrixElements.hpp>
Public Member Functions | |
| double | value () const |
| Full value: factor * (t0 + dv) | |
| double | value0 () const |
| Lowest-order value: factor * t0. | |
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) | |
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inline |
Full value: factor * (t0 + dv)
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inline |
Lowest-order value: factor * t0.
| 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)