Class for (basis set independent) normalized radial wfs. More...
#include <emd.h>
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 | |
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
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pure virtual |
Calculate radial function at p. Must be overridden in the class that implements the function.
Implemented in RadialSlater, and RadialGaussian.