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ampsci
High-precision calculations for one- and two-valence atomic systems
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Nuclear-spin independent PNC operator (Qw)
\[ h_{PNCnsi} = -\frac{G_F \, Q_W}{2\sqrt{2}} \, \rho(r) \, \gamma^5. \]
\[ h_{PNCnsi} = \frac{G_F \, Q_W}{2\sqrt{2}} \, \rho(r) \, \gamma_5. \]
XXX Note - check sign? Ambiguous compared to many sources, probably stemming from writing gamma_5 but meaning gamma^5 ??
Scalar, ME = Radial integral (F'|h|F)
\[ (F'|h|F) = -\frac{G_F \, Q_W}{2\sqrt{2}}\int (f'g - g'f) rho(r) dr \]
Generates rho(r) according to fermi distribution, given c and t [c and t in FERMI / femptometers].
#include <PNC.hpp>
Inheritance diagram for DiracOperator::PNCnsi:Public Member Functions | |
| PNCnsi (double c, double t, const Grid &rgrid, double factor=1.0, const std::string &in_units="iQw*e-11") | |
| std::string | name () const override final |
| Returns "name" of operator (e.g., 'E1') | |
| std::string | units () const override final |
| Returns units of operator as a string (usually au, may be MHz, etc.) | |
Public Member Functions inherited from DiracOperator::ScalarOperator | |
| ScalarOperator (Parity pi, double in_coef, const std::vector< double > &in_v={}, const std::array< int, 4 > &in_g={1, 0, 0, 1}, Realness rori=Realness::real) | |
| General scalar operator constructor. in_g = {C_ff, C_fg, C_gf, C_gg}. | |
| ScalarOperator (const std::vector< double > &in_v={}, double in_coef=1.0) | |
| Convenience constructor: even-parity, real, diagonal (C_ff=C_gg=1, C_fg=C_gf=0) scalar operator. | |
| virtual double | angularF (const int ka, const int kb) const override |
| Angular factor A_ab linking the radial integral to the RME. | |
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 |
| Returns true if the operator is frequency-dependent (requires updateFrequency() calls). | |
| bool | isZero (int ka, int kb) const |
| Returns true if <a|h|b> = 0 by rank/parity selection rules. | |
| bool | isZero (const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| Overload taking DiracSpinors; forwards to isZero(ka, kb). | |
| bool | selectrion_rule (int twoJA, int piA, int twoJB, int piB) const |
| Returns true if the matrix element is non-zero by angular momentum and parity selection rules (arguments are 2j and pi as integers). | |
| virtual void | updateFrequency (const double) |
| Updates the operator for a new frequency omega. | |
| virtual void | updateRank (int) |
| const std::vector< double > & | getv () const |
| Returns a const ref to the stored vector v. | |
| double | getc () const |
| Returns the "overall" constant c. | |
| 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> | |
| double | angularCxy (uint8_t x, uint8_t y, int kappa_a, int kappa_b) const |
| Dispatches to angularCff/fg/gf/gg based on component indices x, y. | |
| virtual std::unique_ptr< TensorOperator > | clone () const |
| Returns a polymorphic copy of the operator at its current state, or nullptr if cloning is not supported by the derived class. | |
| virtual DiracSpinor | radial_rhs (const int kappa_a, const DiracSpinor &Fb) const |
| Computes the right-hand spinor dF_b for the radial integral. | |
| virtual double | radialIntegral (const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| Radial integral R_ab, defined by RME = angularF(a,b) * radialIntegral(a,b). | |
| double | rme3js (int twoja, int twojb, int two_mb=1, int two_q=0) const |
| 3j-symbol factor linking the full ME to the RME. | |
| double | rme3js (const DiracSpinor &Fa, const DiracSpinor &Fb, int two_mb=1, int two_q=0) const |
| Overload of rme3js taking DiracSpinors. | |
| DiracSpinor | reduced_rhs (const int ka, const DiracSpinor &Fb) const |
| Returns angularF(ka,kb) * radial_rhs(ka,Fb); spinor-valued RME action on Fb, used in perturbation theory/TDHF. | |
| DiracSpinor | reduced_lhs (const int ka, const DiracSpinor &Fb) const |
| As reduced_rhs but for the conjugate direction; Fb * reduced_lhs(ka, Fb) = <b||h||a>. | |
| double | reducedME (const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| Returns the reduced matrix element <a||h||b> = A_ab * R_ab. | |
| 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 |
| Returns the factor to convert a reduced ME to a different form (Reduced, Stretched, or HFConstant); see MatrixElementType. | |
| double | matel_factor (MatrixElementType type, const DiracSpinor &Fa, const DiracSpinor &Fb) const |
| Overload of matel_factor taking DiracSpinors. | |
Additional Inherited Members | |
Protected Member Functions inherited from DiracOperator::ScalarOperator | |
| virtual double | angularCff (int, int) const override |
| Angular coefficient C_ff for the f_a*f_b term of the radial integral. | |
| virtual double | angularCgg (int, int) const override |
| Angular coefficient C_gg for the g_a*g_b term of the radial integral. | |
| virtual double | angularCfg (int, int) const override |
| Angular coefficient C_fg for the f_a*g_b term of the radial integral. | |
| virtual double | angularCgf (int, int) const override |
| Angular coefficient C_gf for the g_a*f_b term of the radial integral. | |
Protected Member Functions inherited from DiracOperator::TensorOperator | |
| TensorOperator (int rank_k, Parity pi, double constant=1.0, const std::vector< double > &vec={}, Realness RorI=Realness::real, bool freq_dep=false) | |
| Constructs a specific tensor operator. Called by derived classes. | |
Protected Attributes inherited from DiracOperator::TensorOperator | |
| int | m_rank |
| Parity | m_parity |
| Realness | m_Realness |
| bool | m_freqDependantQ {false} |
| double | m_constant |
| std::vector< double > | m_vec |
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inlinefinaloverridevirtual |
Returns "name" of operator (e.g., 'E1')
Reimplemented from DiracOperator::TensorOperator.
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inlinefinaloverridevirtual |
Returns units of operator as a string (usually au, may be MHz, etc.)
Reimplemented from DiracOperator::TensorOperator.