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RadialFourier Class Referenceabstract

Class for (basis set independent) normalized radial wfs. More...

#include <emd.h>

Inheritance diagram for RadialFourier:
RadialGaussian RadialSlater

Public Member Functions

 RadialFourier (int l)
 Constructor.
 
virtual ~RadialFourier ()
 Destructor.
 
int getl () const
 Get l value.
 
virtual void print () const =0
 
virtual std::complex< double > get (double p) const =0
 

Protected Attributes

int l
 l value
 

Detailed Description

Class for (basis set independent) normalized radial wfs.

The routines in this file provide basis set agnostic tools for evaluating the radial electron momentum density and its moments. For the formalism see chapter 3.8 in Susi Lehtola's PhD thesis "Computational Modeling of the Electron Momentum Density", University of Helsinki 2013.

A full electronic version is available at http://urn.fi/URN:ISBN:978-952-10-8091-3

Member Function Documentation

virtual std::complex<double> RadialFourier::get ( double  p) const
pure virtual

Calculate radial function at p. Must be overridden in the class that implements the function.

Implemented in RadialSlater, and RadialGaussian.


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