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Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations inchloroelpasolite crystals Zbiri, Mohamed; Atanasov, Mihail; Daul, Claude; Garcia-Lastra, Juan Maria; Wesolowski, Tomasz Adam 2004
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Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites Zbiri, Mohamed; Daul, Claude; Wesolowski, Tomasz Adam 2006
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Ground States, Excited States, and Metal-Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study Atanasov, Mihail; Daul, Claude; Güdel, Hans U.; Wesolowski, Tomasz Adam; Zbiri, Mohamed 2005