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A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT).Ligand field density functional theory for the prediction of future domestic lighting.Development and applications of the LFDFT: the non-empirical account of ligand field and the simulation of the f-d transitions by density functional theory.Tailoring the optical properties of lanthanide phosphors: prediction and characterization of the luminescence of Pr(3+)-doped LiYF4.Ligand field density functional theory calculation of the 4f2→ 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+.The theoretical account of the ligand field bonding regime and magnetic anisotropy in the DySc2N@C80 Single Ion Magnet endohedral fullerene.General treatment of the multimode Jahn-Teller effect: study of fullerene cations.On the calculation of multiplet energies of three-open-shell 4f135fn6d1 electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation in actinide compounds.Electronic fine structure calculation of metal complexes with three-open-shell s, d, and p configurations.Prospecting Lighting Applications with Ligand Field Tools and Density Functional Theory: A First-Principles Account of the 4f(7)-4f(6)5d(1) Luminescence of CsMgBr3:Eu(2+).Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)-Containing A2USi6O15 (A = K, Rb) with an Intriguing Green-to-Purple, Crystal-to-Crystal Structural Transition in the K Analogue.Density functional theory study of the multimode Jahn-Teller problem in the fullerene anionJahn-Teller instability in cationic boron and carbon buckyballs B80+ and C60+: a comparative studyThe angular overlap model extended for two-open-shell f and d electronsA DFT-based theoretical model for the calculation of spectral profiles of lanthanide M4,5-edge x-ray absorptionElectronic Structure and Photoluminescence Properties of Eu(η9-C9H9)2
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description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Harry Ramanantoanina
@ast
Harry Ramanantoanina
@en
Harry Ramanantoanina
@es
Harry Ramanantoanina
@nl
Harry Ramanantoanina
@sl
type
label
Harry Ramanantoanina
@ast
Harry Ramanantoanina
@en
Harry Ramanantoanina
@es
Harry Ramanantoanina
@nl
Harry Ramanantoanina
@sl
prefLabel
Harry Ramanantoanina
@ast
Harry Ramanantoanina
@en
Harry Ramanantoanina
@es
Harry Ramanantoanina
@nl
Harry Ramanantoanina
@sl
P106
P21
P31
P496
0000-0002-2086-6958