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

Optical absorption spectra concerning 4f /spl rarr/ 5d transition of Ce/sup 3+/-doped solid-state laser crystals were calculated by ab-initio fully relativistic molecular orbital method. In Ce/sup 3+/:LiYF/sub 4/, importance of yttrium atoms was pointed out for assignment of the spectrum.