ampsci
High-precision calculations for one- and two-valence atomic systems
DiracOperator::RadialFfinal

General function of r, even scalar operator. More...

#include <RadialF.hpp>

+ Inheritance diagram for DiracOperator::RadialF:

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 std::array< int, 4 > &in_g={1, 0, 0, 1}, int in_diff=0, Realness rori=Realness::real)
 
 ScalarOperator (const std::vector< double > &in_v={}, double in_coef=1.0)
 
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
 TensorOperator (const TensorOperator &)=default
 
TensorOperatoroperator= (const TensorOperator &)=default
 
 TensorOperator (TensorOperator &&)=default
 
TensorOperatoroperator= (TensorOperator &&)=default
 
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
 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 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 (const int twoja, const 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::ScalarOperator
virtual double angularCff (int, int) const override
 Angular factor for f_a*f_b part of radial integral.
 
virtual double angularCgg (int, int) const override
 Angular factor for g_a*g_b part of radial integral.
 
virtual double angularCfg (int, int) const override
 Angular factor for f_a*g_b part of radial integral.
 
virtual double angularCgf (int, int) const override
 Angular factor for g_a*f_b part of radial integral.
 
- 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::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
 

Detailed Description

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).

Member Function Documentation

◆ name()

std::string DiracOperator::RadialF::name ( ) const
inlinefinaloverridevirtual

Returns "name" of operator (e.g., 'E1')

Reimplemented from DiracOperator::TensorOperator.

◆ units()

std::string DiracOperator::RadialF::units ( ) const
inlinefinaloverridevirtual

Returns units of operator (usually au, may be MHz, etc.)

Reimplemented from DiracOperator::TensorOperator.


The documentation for this class was generated from the following file: