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ampsci
c++ program for high-precision atomic structure calculations of single-valence systems
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General function of r, even scalar operator. More...
#include <RadialF.hpp>
Inherits DiracOperator::ScalarOperator.
Public Member Functions | |
| RadialF (const Grid &rgrid, const std::function< double(double)> &f) | |
| RadialF (const Grid &rgrid, const double n) | |
| std::string | name () const override final |
| Returns "name" of operator (e.g., 'E1') | |
| std::string | units () const override final |
| Returns units of operator (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 IntM4x4 &in_g={1, 0, 0, 1}, int in_diff=0, Realness rori=Realness::real) | |
| ScalarOperator (const std::vector< double > &in_v) | |
| ScalarOperator (double in_coef, const std::vector< double > &in_v={}) | |
| virtual double | angularF (const int ka, const int kb) const override |
| angularF: links radiation integral to RME. RME = <a||h||b> = angularF(a,b) * radial_int(a,b) | |
Public Member Functions inherited from DiracOperator::TensorOperator | |
| bool | freqDependantQ () const |
| bool | isZero (const 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 |
| virtual void | updateFrequency (const double) |
| Update frequency for frequency-dependant operators. | |
| 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 |
| 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 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 |
| Defined via <a||h||b> = angularF(a,b) * radialIntegral(a,b) (Note: if radial_rhs is overridden, then radialIntegral must also be_. | |
| double | rme3js (const int twoja, const int twojb, 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) | |
Additional Inherited Members | |
Protected Member Functions inherited from DiracOperator::ScalarOperator | |
| virtual double | angularCff (int, int) const override |
| virtual double | angularCgg (int, int) const override |
| virtual double | angularCfg (int, int) const override |
| virtual double | angularCgf (int, int) const override |
Protected Member Functions inherited from DiracOperator::TensorOperator | |
| TensorOperator (int rank_k, Parity pi, double constant=1.0, const std::vector< double > &inv={}, int diff_order=0, Realness RorI=Realness::real, bool freq_dep=false) | |
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 |
General function of r, even scalar operator.
Pass only grid to just get r, or either pass a lambda/function [f(r)], or a number, n, (for r^n).
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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 (usually au, may be MHz, etc.)
Reimplemented from DiracOperator::TensorOperator.