ampsci
High-precision calculations for one- and two-valence atomic systems
DiracODE::DiracContinuumDerivative

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H-like Dirac derivative matrix for continuum states at large r.

Implements AdamsMoulton::DerivativeMatrix<double, double>, using r directly as the argument type. Valid for H-like potential (-Zeff/r); used to extend continuum integration beyond the regular grid for normalisation.

Note
Non-copyable.

#include <ContinuumState.hpp>

+ Inheritance diagram for DiracODE::DiracContinuumDerivative:

Public Member Functions

 DiracContinuumDerivative (double in_Zeff, const int in_kappa, const double in_en, const double in_alpha)
 Constructs the H-like continuum derivative matrix.
 
double a (double r) const final
 a,b,c,d are derivative matrix functions; all must be user implemented
 
double b (double r) const final
 
double c (double r) const final
 
double d (double r) const final
 
- Public Member Functions inherited from AdamsMoulton::DerivativeMatrix< double, double >
virtual double Sf (double) const
 Sf and Sg are optional inhomogenous terms.
 
virtual double Sg (double) const
 

Public Attributes

double Zeff = 1.0
 
int kappa
 
double en
 
double alpha
 
double cc
 

Constructor & Destructor Documentation

◆ DiracContinuumDerivative()

DiracODE::DiracContinuumDerivative::DiracContinuumDerivative ( double  in_Zeff,
const int  in_kappa,
const double  in_en,
const double  in_alpha 
)
inline

Constructs the H-like continuum derivative matrix.

Parameters
in_ZeffEffective nuclear charge.
in_kappaOrbital kappa quantum number.
in_enContinuum energy.
in_alphaFine-structure constant.

Member Function Documentation

◆ a()

double DiracODE::DiracContinuumDerivative::a ( double  t) const
inlinefinalvirtual

a,b,c,d are derivative matrix functions; all must be user implemented

Implements AdamsMoulton::DerivativeMatrix< double, double >.

◆ b()

double DiracODE::DiracContinuumDerivative::b ( double  r) const
inlinefinalvirtual

◆ c()

double DiracODE::DiracContinuumDerivative::c ( double  r) const
inlinefinalvirtual

◆ d()

double DiracODE::DiracContinuumDerivative::d ( double  r) const
inlinefinalvirtual

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