WybourneToStevens - asche1/PyCrystalField GitHub Wiki

WybourneToStevens

WybourneToStevens(ion, Adict, LS=False)

Convert Wybourne CEF parameters to the Stevens formalism.

Parameters

  • ion: ion of CEF parameters (currently only for rare-earth ions)
  • Adict: a dictionary of Wybourne CEF parameters with Anm as the keys.
  • LS: a binary (default False) to specify whether the Stevens operators will be for an effective J or LS state.

Returns

  • StevDict: a dictionary with the Stevens operators assigned keys Bnm.

Example:

>>> import PyCrystalField as cef
>>> Adictionary = {'A20':39.3, 'A40':36.2, 'A43':275, 'A60':1.23, 'A63':-19.1, 'A66':26.6 }
>>> Bdictionary = cef.WybourneToStevens('Er3+',Adictionary)
>>> print(Bdictionary)
{'B20': 0.035181659428571425, 'B40': 0.002810505316017316, 'B43': 0.02135052380952381, 
'B60': 2.213089480837732e-05, 'B63': -0.00034365861043902994, 'B66': 0.00047860309097791604}