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ampsci
High-precision calculations for one- and two-valence atomic systems
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Low qr form of Vector electric. Only for K=1 (zero otherwise) More...
#include <EM_multipole_lowqr.hpp>
Inheritance diagram for DiracOperator::VEk_lowq:Public Member Functions | |
| VEk_lowq (const Grid &gr, int K, double) | |
| void | updateFrequency (const double) override final |
| Update frequency for frequency-dependant operators. | |
| double | angularCff (int, int) const override final |
| Angular factor for f_a*f_b part of radial integral. | |
| double | angularCgg (int, int) const override final |
| Angular factor for g_a*g_b part of radial integral. | |
| double | angularCfg (int ka, int kb) const override final |
| Angular factor for f_a*g_b part of radial integral. | |
| double | angularCgf (int ka, int kb) const override final |
| Angular factor for g_a*f_b part of radial integral. | |
Public Member Functions inherited from DiracOperator::EM_multipole | |
| const SphericalBessel::JL_table * | jl () const |
| Returns the precomputed Bessel table pointer (may be nullptr). | |
| std::string | name () const override |
| Returns a human-readable label, e.g. "T^E_1", "T^M5_2", "t_1", "P_1". | |
| double | angularF (const int ka, const int kb) const override |
| Angular factor linking the radial integral to the reduced matrix element: \( \langle a \| h \| b \rangle = F(\kappa_a,\kappa_b) \cdot
\int \! dr \). | |
| void | updateRank (int new_K) override |
| Updates the tensor rank and adjusts parity accordingly. | |
| std::unique_ptr< TensorOperator > | clone () const override |
| Creates a fully independent copy of this operator at its current (rank, frequency) state via the MultipoleOperator factory. | |
| EM_multipole (const EM_multipole &)=default | |
| EM_multipole & | operator= (const EM_multipole &)=default |
| EM_multipole (EM_multipole &&)=default | |
| EM_multipole & | operator= (EM_multipole &&)=default |
Public Member Functions inherited from DiracOperator::TensorOperator | |
| TensorOperator (const TensorOperator &)=default | |
| TensorOperator & | operator= (const TensorOperator &)=default |
| TensorOperator (TensorOperator &&)=default | |
| TensorOperator & | operator= (TensorOperator &&)=default |
| bool | freqDependantQ () const |
| bool | isZero (int ka, int kb) const |
| If matrix element <a|h|b> is zero, returns true. | |
| bool | isZero (const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| bool | selectrion_rule (int twoJA, int piA, int twoJB, int piB) const |
| void | scale (double lambda) |
| Permanently re-scales the operator by constant, lambda. | |
| const std::vector< double > & | getv () const |
| Returns a const ref to vector v. | |
| double | getc () const |
| Returns a const ref to constant c. | |
| int | get_d_order () const |
| bool | imaginaryQ () const |
| returns true if operator is imaginary (has imag MEs) | |
| int | rank () const |
| Rank k of operator. | |
| int | parity () const |
| returns parity, as integer (+1 or -1) | |
| int | symm_sign (const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| returns relative sign between <a||x||b> and <b||x||a> | |
| virtual std::string | units () const |
| Returns units of operator (usually au, may be MHz, etc.) | |
| virtual DiracSpinor | radial_rhs (const int kappa_a, const DiracSpinor &Fb) const |
| radial_int = Fa * radial_rhs(a, Fb) (a needed for angular factor) | |
| virtual double | radialIntegral (const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| Radial part of integral R_ab = (Fa|t|Fb). | |
| double | rme3js (int twoja, int twojb, int two_mb=1, int two_q=0) const |
| ME = rme3js * RME. | |
| double | rme3js (const DiracSpinor &Fa, const DiracSpinor &Fb, int two_mb=1, int two_q=0) const |
| ME = rme3js * RME. | |
| DiracSpinor | reduced_rhs (const int ka, const DiracSpinor &Fb) const |
| <a||h||b> = Fa * reduced_rhs(a, Fb) (a needed for angular factor) | |
| DiracSpinor | reduced_lhs (const int ka, const DiracSpinor &Fb) const |
| <b||h||a> = Fa * reduced_lhs(a, Fb) (a needed for angular factor) | |
| double | reducedME (const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| The reduced matrix element. | |
| double | fullME (const DiracSpinor &Fa, const DiracSpinor &Fb, std::optional< int > two_ma=std::nullopt, std::optional< int > two_mb=std::nullopt, std::optional< int > two_q=std::nullopt) const |
| Returns "full" matrix element, for optional (ma, mb, q) [taken as int 2*]. If not specified, returns z-component (q=0), with ma=mb=min(ja,jb) | |
| double | matel_factor (MatrixElementType type, int twoJa, int twoJb) const |
| Converts reduced matrix element to different "type" (MatrixElementType) | |
| double | matel_factor (MatrixElementType type, const DiracSpinor &Fa, const DiracSpinor &Fb) const |
Additional Inherited Members | |
Protected Member Functions inherited from DiracOperator::EM_multipole | |
| EM_multipole (int rank_k, Parity pi, double constant, const std::vector< double > &vec, Realness RorI, bool freq_dep, const Grid *grid, char type, char comp, bool low_q, const SphericalBessel::JL_table *jl=nullptr, char form='V') | |
| Initialise the EM_multipole base layer. | |
Protected Member Functions inherited from DiracOperator::TensorOperator | |
| TensorOperator (int rank_k, Parity pi, double constant=1.0, const std::vector< double > &vec={}, int diff_order=0, Realness RorI=Realness::real, bool freq_dep=false) | |
| Constructs a tensor operator description. | |
Protected Attributes inherited from DiracOperator::EM_multipole | |
| const Grid * | m_grid {nullptr} |
| double | m_omega |
| Current frequency; cached by each derived updateFrequency(). | |
| char | m_type {} |
| char | m_comp {} |
| bool | m_low_q {} |
| char | m_form {} |
| const SphericalBessel::JL_table * | m_jl {nullptr} |
Protected Attributes inherited from DiracOperator::TensorOperator | |
| int | m_rank |
| Parity | m_parity |
| int | m_diff_order |
| Realness | opC |
| bool | m_freqDependantQ {false} |
| double | m_constant |
| std::vector< double > | m_vec |
Low qr form of Vector electric. Only for K=1 (zero otherwise)
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inlinefinaloverridevirtual |
Update frequency for frequency-dependant operators.
Reimplemented from DiracOperator::TensorOperator.
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inlinefinaloverridevirtual |
Angular factor for f_a*f_b part of radial integral.
\[ \int_0^\infty v(r)\left( C_{ff}f_a(r)f_b(r) + C_{fg}f_a(r)g_b(r) + C_{gf}g_a(r)f_b(r) + C_{gg}g_a(r)g_b(r) \right)\,{\rm d}r \]
Reimplemented from DiracOperator::TensorOperator.
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inlinefinaloverridevirtual |
Angular factor for g_a*g_b part of radial integral.
Reimplemented from DiracOperator::TensorOperator.
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inlinefinaloverridevirtual |
Angular factor for f_a*g_b part of radial integral.
Reimplemented from DiracOperator::TensorOperator.
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inlinefinaloverridevirtual |
Angular factor for g_a*f_b part of radial integral.
Reimplemented from DiracOperator::TensorOperator.