G. Bevilacqua et al., JAHN-TELLER EFFECT IN ZNS-FE2-TYPE ALGORITHM( REVISITED WITH A MODIFIED LANCZOS), Physical review. B, Condensed matter, 54(11), 1996, pp. 7626-7629
We study the Jahn-Teller effect in ZnS:Fe2+ by means of a modified Lan
czos-type algorithm, able to give any excited stale of very large quan
tum systems with good accuracy. The calculations are performed in the
energy range of 2945-3580 cm(-1), in the framework of a multimode vibr
onic model. The zero-phonon emission lines (hot lines) are also evalua
ted. The results are compared with the experimental ones.