Ab-initio analysis for optical absorption spectra of Ce/sup 3+/-doped solid-state laser crystals

Spectroscopy of High‐Energy States of Lanthanide Ions

“…When we attempted calculations with a larger cluster the shortcomings of the method became apparent and there was considerable mixing of 5d orbitals with Y 3+ orbitals. This has been previously noted in ref 40. While interactions with the conduction band has an important effect on the high‐energy states, as is well‐known from the lack of structure observed in the spectra and from direct measurements of photoconductivity,7 the mixing we obtained was too large to be physical.…”

“…This has been previously noted in Ref. [40]. While interactions with the conduction band has an important effect on the high-energy states, as is well-known from the lack of structure observed in the spectra and from direct measurements of photoconductivity [7], the mixing we obtained was too large to be physical.…”

“…It was further developed by Adachi and co-workers [47] and it has been used for various calculations on lanthanide systems [40,41,42,43,24,44]. These calculations are fully relativistic and so automatically include the spin-orbit interaction.…”

“…Ishii, Ogasawara and co-workers [40,41,42,20,43] have applied the DV-Xα method for ions across the entire lanthanide series. Similar calculations have been performed by other workers [24,44].…”