arc.alkali_atom_functions.NumerovBack#
- NumerovBack(innerLimit, outerLimit, kfun, step, init1, init2)[source]#
Full Python implementation of Numerov integration
Calculates solution function \(rad(r)\) with descrete step in \(r\) size of step, integrating from outerLimit towards the innerLimit (from outside, inwards) equation \(\frac{\mathrm{d}^2 rad(r)}{\mathrm{d} r^2} = kfun(r)\cdot rad(r)\).
- Parameters
innerLimit (float) – inner limit of integration
outerLimit (flaot) – outer limit of integration
kfun (function(double)) – pointer to function used in equation (see longer explanation above)
step – descrete step size for integration
init1 (float) – initial value, rad`(`outerLimit`+`step)
init2 (float) – initial value, rad`(`outerLimit`+:math:`2cdot step)
- Returns
\(r\) (a.u), \(rad(r)\);
- Return type
numpy array of float , numpy array of float, int
Note
Returned function is not normalized!
Note
If
AlkaliAtom.cpp_numerov
swich is set to True (default), much faster C implementation of the algorithm will be used instead. That is recommended option. See documentation installation instructions for more details.