CORRELATION-CRYSTAL-FIELD DELTA-FUNCTION ANALYSIS OF PR3-LEVEL STRUCTURE((4F(2)) ENERGY)

Inclusion of two-electron correlation-crystal-field (CCF) contribution s to the model (energy-level) Hamiltonian has been shown to resolve di sparities between calculated and observed energy-level splittings with in problematic multiplet manifolds of Nd3+ and Er3+ systems. Applicati on of these CCF terms to other problematic multiplets, such as the (1) G(4) and D-1(2) multiplets of Pr3+ has not been feasible, owing to the fact that the number of applicable CCF terms far exceed the number of observed levels in these multiplets. However, this problem may be obv iated by use of a simplified 'delta-function' CCF model that assumes t he dominant contributions to the CCF interactions come from paired ele ctrons within the same orbital. In the present study, we examine the 4 f(2)(Pr3+) electronic energy-level structures reported for Pr3+:LaCl3, Pr3+:GdCl3, Pr3+:Cs2NaYCl6 and Cs2NaPrCl6 systems and show that inclu sion of delta-function CCF interaction parameters resolves the dispari ties between observed and calculated energy-level splittings for the p roblematic (1)G(4) and D-1(2) multiplets of these systems.