29 records found
1
Lattice relaxation study of the 4f-5d excitation of Ce3+-doped LaCl3, LaBr3, and NaLaF4: Stokes shift by pseudo Jahn-Teller effect
First-Principles Calculations of the Electronic and Spatial Structures of the Ba1-x La2+x System within the Supercell Model
4fn-15d centroid shift in lanthanides and relation with anion polarizabiility, covalency, and cation electronegativity
Explanation of the T- and X-line components of the emission of ns2 impurity ions in alkali halides by lattice relaxations studies
Hartree-Fock calculation of BaF2:La systems
The centroid shift of the 5d levels of Ce3+ with respect to the 4f levels in ionic crystals, a theoretical investigation
Hartree-Fock calculation BaF2:La systems
On the Stokes shift of the Ce3+ 5d --> 4f luminescence in inorganic crystals
Ab initio study of the stokes shift of the ns-np trnasition of Tl+ and In+ in KCl, Jahn-Teller effect in the nsnp configuration
Lattice relaxation of luminescence centres of the X-line emission of ns2 impurity ions in alkali halides: anomalous geometry of the impurity centre in the excited nsnp state
Structure, optical absorption, and luminescence energy calculations of Ce 3+ defects in LiBaF3
Charge compensation and lattice relaxation in LiBaF3:Ce3+
Defect study on Ce3+ in LiBaF3
Experimental and theoretical study of the spectroscopic properties of Ce3+ doped LaCl3 single crystals.
The choice of parameters in quantum - chemical simulation of the rare-earth ions electronic structure by a scattered waves cluster method
Parametrization of pair ion-ion potentials for molecular statics calculations of Y2SiO5 crystals using quantum-chemistry data
