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High-precision calculations for one- and two-valence atomic systems
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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. | |
| DiracODE::FreeDiracParameters::FreeDiracParameters | ( | double | en, |
| const Grid & | grid, | ||
| double | alpha | ||
| ) |
Parameters of the free Dirac waves at energy en (> 0, au) on the grid.
| double DiracODE::FreeDiracParameters::k {} |
Momentum, k = sqrt(en (2 + alpha^2 en)), in au.
| 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)
| double DiracODE::FreeDiracParameters::g_ratio {} |
Small-to-large ratio of a free particle, k alpha / (2 + alpha^2 en)
| 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.