hydrogen.h File Reference

#include <vector>
#include "special.h"

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Data Structures
class	HydrogenFunction

Namespaces
	Hydrogen
	Hydrogen atom.

Macros
#define	DEFAULT_LAMBDA   1
	Default range parameter in the Sturmian functions. More...
#define	DEFAULT_MAXSTEPS   1000

Functions
double	Hydrogen::P (unsigned n, unsigned l, double r)
	Hydrogen bound radial orbital. More...
double	Hydrogen::lastZeroBound (int n, int l)
	Get last node of the bound radial wave function. More...
double	Hydrogen::getBoundN (int n, int l)
	Return all constant factors of the bound state. More...
double	Hydrogen::S (int n, int l, double r, double lambda=DEFAULT_LAMBDA)
	Sturmian wave function \[ S_{n\ell}(r) = \left(\frac{\lambda_\ell (k-1)!}{(2\ell+1+k)!}\right)^{1/2} (\lambda_\ell r)^{\ell+1} \exp(-\lambda_\ell r/2) L_{k-1}^{2\ell+2}(\lambda_\ell r) \] . More...
double	Hydrogen::getBoundFar (int n, int l, double eps, int max_steps)
double	Hydrogen::getSturmFar (int n, int l, double lambda, double eps, int max_steps)
double	Hydrogen::F (double k, int l, double r, double sigma)
double	Hydrogen::evalFreeStatePhase (double k, int l, double sigma)
double	Hydrogen::evalFreeState_asy (double k, int l, double r, double sigma)
double	Hydrogen::getFreeAsyZero (double k, int l, double Sigma, double eps, int max_steps, int nzero)
double	Hydrogen::getFreeAsyTop (double k, int l, double Sigma, double eps, int max_steps, int ntop)
double	Hydrogen::getFreeFar (double k, int l, double Sigma=special::constant::Nan, double eps=1e-10, int max_steps=DEFAULT_MAXSTEPS)
	Return sufficiently far radius for using the asymptotic form of the free state. More...

Macro Definition Documentation

#define DEFAULT_LAMBDA   1

#define DEFAULT_MAXSTEPS   1000