ampsci
c++ program for high-precision atomic structure calculations of single-valence systems
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Performs asymptotic expansion for f and g at large r, up to order Nx in (1/r) More...
#include <AsymptoticSpinor.hpp>
Public Member Functions | |
AsymptoticSpinor (int in_kappa, double in_Zeff, double in_en, double in_alpha=PhysConst::alpha, double in_eps_target=1.0e-14, double m=1.0) | |
std::pair< double, double > | fg (double r) const |
Performs asymptotic expansion for f and g at large r, up to order Nx in (1/r) More... | |
Performs asymptotic expansion for f and g at large r, up to order Nx in (1/r)
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inline |
Performs asymptotic expansion for f and g at large r, up to order Nx in (1/r)
Large-r expansion of upper/lower radial components of the Dirac solution, see Johnson (2007), Eqs. (2.170) – (2.171).
f(r) = r^s exp(-yr) * { A(1 + O(1/r) + ...) + B(O(1/r) + ...)},
g(r) = r^s exp(-yr) * { -B(1 + O(1/r) + ...) + A(O(1/r) + ...)},
where s~1, y~1, A~1, B<<1.
It's the 1/r expansion inside the {} brackets that is truncated at order Nx. The series is terminated if relative change drops below eps_target. This usually hapens around order ~5.