Function adas.cxhyde
def cxhyde(iz0, zeff, n, l)
-
Calculates lowest order non-relativistic, relativistic and quantumelectrodynamic energies for hydrogenic ions.
Parameters
iz0
:int
- nuclear charge
zeff
:float
- effective nuclear charge
n
:int
- principal quantumn number
l
:int
- orbital quantumn number
Returns
energy
:float
- binding energy for centre of nl term (Rydberg)
Notes
Fine structure for l>0 must be added externally. QED effects for l>0 are omitted.
The formulae are from G W Erickson, J. Phys. Chem. Ref. Data, 6, p831 (1977) DOI: 10.1063/1.555557
A pure python version of cxhyde.for.
Version History
- Martin O'Mullane, 18-11-2021
- First version
Example
The binding energy of Hydrogen 3d orbital,
>>> import adas as adas >>> adas.cxhyde(1, 1.0, 3, 2) 0.11111140694666666