potential.h

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/* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *\
 *                                                                           *
 *                       / /   / /    __    \ \  / /                         *
 *                      / /__ / /   / _ \    \ \/ /                          *
 *                     /  ___  /   | |/_/    / /\ \                          *
 *                    / /   / /    \_\      / /  \ \                         *
 *                                                                           *
 *                         Jakub Benda (c) 2014                              *
 *                     Charles University in Prague                          *
 *                                                                           *
\* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * */

#ifndef HEX_DISTORTING_POTENTIAL
#define HEX_DISTORTING_POTENTIAL

#include "arrays.h"
#include "hydrogen.h"
#include "special.h"

extern const rArrays Ucoeffs;

class DistortingPotential : public RadialFunction<double>
{
public:
    // constructors
    // @{
    DistortingPotential() : n_(0), k_(0.), rmax_(0) {}
    DistortingPotential(int n, double rmax = 0.) : n_(n), k_(0.), rmax_(rmax) {}
    DistortingPotential(double k, double rmax = 0.) : n_(0), k_(k), rmax_(rmax) {}
    DistortingPotential(DistortingPotential const & U) : n_(U.n_), k_(U.k_), rmax_(U.rmax_) {}
    // @}
    
    DistortingPotential operator= (DistortingPotential const& V);
    
    bool operator== (DistortingPotential const & V) const;
    
    double operator() (double x) const;
    
    double getTurningPoint () const { return 0.; }
    
    std::pair<double,int> getZeroAsymptotic (double x) const { return std::make_pair(-1,-1); }
    
    double plusMonopole(double x) const;
    
    double getConstant() const;
    
    double getFarRadius() const;
    
    void toFile(const char * filename) const;
    int n() const { return n_; }
    double k() const { return k_; }
    
private:
    int n_;        // principal quantum number of distorting state
    double k_;     // wavenumber of distorting state
    double rmax_;  // far radius
};

#endif