63 citations · 203 across the 7 of their papers we have counts for
7 papers
Intervalence Charge Transfer Luminescence: Interplay between anomalous and 5d-4f emissions in Yb-doped fluorite-type crystals
Zoila Barandiaran, Luis Seijo
We report the existence of intervalence charge transfer (IVCT) luminescence in Yb-doped fluorites associated with Yb2+-Yb3+ mixed valence pairs. We show that the very broad band, a…
Intervalence Charge Transfer luminescence: The anomalous luminescence of Cerium-doped Cs2LiLuCl6 elpasolite
Luis Seijo, Zoila Barandiaran
The existence of intervalence charge transfer (IVCT) luminescence is reported. It is shown that the so called anomalous luminescence of Ce-doped elpasolite Cs2LiLuCl6, which is cha…
Effective-Hamiltonian parameters for \emph{ab initio} energy-level calculations of SrCl:Yb and CsCaBr:Yb
A. J. Salkeld, M. F. Reid, J. -P. R. Wells +3
Calculated energy levels from recent \emph{ab initio} studies of the electronic structure of SrCl:Yb and CsCaBr:Yb are fitted with a semi-empirical "cryst…
4f and 5d levels of Ce3+ in D2 eightfold oxygen coordination
Luis Seijo, Zoila Barandiaran
The effects on the 4f and 5d levels of Ce3+ of its first coordination shell geometry in Ce-doped oxides with a D2 8-fold site, like garnets, are studied with embedded cluster, wave…
The multi-state CASPT2 spin-orbit method
Zoila Barandiaran, Luis Seijo
We propose the multi-state complete-active-space second-order perturbation theory spin-orbit method (MS-CASPT2-SO) for electronic structure calculations. It is a two-step spin-orbi…
Prediction of pressure-induced red shift of f->d(t2g) excitations in Cs2NaYCl6:Ce(3+) and its connection with bond length shortening
Fernando Ruiperez, Luis Seijo, Zoila Barandiaran
Quantum chemical calculations including embedding, scalar relativistic, and dynamic electron correlation effects on Cs2NaYCl6:(CeCl6)3- embedded clusters predict: (i) red shifts of…