Theoretical Free-Ion Energies,Derivatives and Reduced Matrix Elements I. Pr(3+),Tm(3+),Nd(3+),and Er(3+).

摘要

The theoretical procedure for analysing the optical spectra of triply ionized lanthanides in crystals is discussed. Methods first suggested by Margolis and Wong are incorporated into a procedure that indicates that free-ion parameters relating to some convenient host material are to be preferred for obtaining basis wave functions and reduced matrix elements. The aqueous solution free-ion parameters for Pr(3+),Tm(3+),Nd(3+),and Er(3+) are used to calculate the free-ion centroid energies and derivatives with respect to the Ek,zeta,alpha,beta,and gamma of Rajnak and Wybourne's seven-parameter Hamiltonian. Reduced matrix elements for the spherical harmonics in low-lying multiplets of these ions are given.