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

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Momentum, normalisation, and resolved extent of the free (V = 0) Dirac waves at one energy on a grid; see freeDirac().

#include <FreeDirac.hpp>

Public Member Functions

 FreeDiracParameters (double en, const Grid &grid, double alpha)
 Parameters of the free Dirac waves at energy en (> 0, au) on the grid.
 

Public Attributes

double k {}
 Momentum, k = sqrt(en (2 + alpha^2 en)), in au.
 
double norm {}
 Amplitude N = k D of f = N r j_l(kr): D the energy-normalised large-r amplitude (analytic_f_amplitude)
 
double g_ratio {}
 Small-to-large ratio of a free particle, k alpha / (2 + alpha^2 en)
 
std::size_t max_pt {}
 Extent of the stored solution: the grid resolves the oscillations (at least ~10 points per wavelength, as solveContinuum) below this index.
 

Constructor & Destructor Documentation

◆ FreeDiracParameters()

DiracODE::FreeDiracParameters::FreeDiracParameters ( double  en,
const Grid &  grid,
double  alpha 
)

Parameters of the free Dirac waves at energy en (> 0, au) on the grid.

Member Data Documentation

◆ k

double DiracODE::FreeDiracParameters::k {}

Momentum, k = sqrt(en (2 + alpha^2 en)), in au.

◆ norm

double DiracODE::FreeDiracParameters::norm {}

Amplitude N = k D of f = N r j_l(kr): D the energy-normalised large-r amplitude (analytic_f_amplitude)

◆ g_ratio

double DiracODE::FreeDiracParameters::g_ratio {}

Small-to-large ratio of a free particle, k alpha / (2 + alpha^2 en)

◆ max_pt

std::size_t DiracODE::FreeDiracParameters::max_pt {}

Extent of the stored solution: the grid resolves the oscillations (at least ~10 points per wavelength, as solveContinuum) below this index.


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