Calculations were made of the observed 3T1(F) ground state and 3T1(P) excited-state fine structure of the CdS:Ni2+ center by using an intermediate coupling to a T2 local vibrational mode. Such a fit was confirmed for the first time by the good agreement between parameter-free calculations (of Zeeman behavior and isotope shifts) and experimental data.

J.Schöpp, R.Heitz, A.Hoffmann, U.Scherz: Materials Science Forum, 1994, 143-147, 815-20