original ) (raw )Analysis of f–d excitation spectra of heavy lanthanide ions in various crystals based on the simple model for f–d transition and its correction caused by the 5d spin–orbit interaction
Ilmo Sildos
Journal of Luminescence, 2013
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Spectroscopy and Calculations for 4f N → 4f N –1 5d Transitions of Lanthanide Ions in K 3 YF 6
Chong-Geng Ma
The Journal of Physical Chemistry A, 2012
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4f(n)-> 4f(n)-15d transitions of the heavy lanthanides: Experiment and theory
Michael Reid
2002
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Extraction of crystal-field parameters for lanthanide ions from quantum-chemical calculations
Chang-Kui Duan
Journal of Physics: Condensed Matter, 2011
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Hybrid ligand-field theory/quantum chemical calculation of the fine structure and ZFS in lanthanide(III) complexes
Lothar Helm
Chemical Physics Letters, 2004
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CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes
Alessandro Soncini
Journal of computational chemistry, 2017
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Ground-state properties of rare-earth metals: an evaluation of density-functional theory
Alexander Landa
Journal of Physics: Condensed Matter, 2014
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Calculation of the 4f1→4f05d1 transitions in Ce3+-doped systems by Ligand Field Density Functional Theory
Werner Urland , Claude Daul , Fanica Cimpoesu
Chemical Physics Letters, 2013
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Parameterization of 4f-4f transition intensities in Eu3+-doped lanthanum oxychloride
Jorma Hölsä
Journal of the Less Common Metals, 1985
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Spectroscopy of High-Energy States of Lanthanide Ions
Chang-Kui Duan
European Journal of Inorganic Chemistry, 2010
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4FN↔4FN−15D Transitions of the Trivalent Lanthanides: Experiment and Theory
Andries Meijerink
Journal of Luminescence, 2001
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Electronic Structure and Transition Intensities in Rare-Earth Materials
Michael Reid
2013
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4fn→4fn-15d transitions of the light lanthanides: Experiment and theory
Andries Meijerink
Physical Review B, 2002
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4f N − 1 5d energy levels of lanthanides: a quasi-angular-momentum approach and its application to Cs 2 NaYF 6 :Er 3+
Chong-Geng Ma , Chang-Kui Duan
Chinese Physics B, 2009
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Ground States, Excited States, and Metal−Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study
Tomasz Wesolowski
Inorganic Chemistry, 2005
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AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS OF LANTHANUM FLUORIDE
Robert Waihura
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Theory of Rare-Earth Electronic Structure and Spectroscopy
Michael Reid
Including Actinides, 2016
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Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide(iii) complexes
Alessandro Soncini
Phys. Chem. Chem. Phys., 2016
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The role of molecular dynamics in the f-f transition intensities in lanthanide compounds
Przemysław Starynowicz
Journal of Alloys and Compounds, 1995
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A simple model for the f–d transition of actinide and heavy lanthanide ions in crystals
Chang-Kui Duan
Current Applied Physics, 2006
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Trends in parameters for the 4fN↔4fN−15d spectra of lanthanide ions in crystals
Andries Meijerink
Journal of Alloys and Compounds, 2002
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Theoretical Simulation and Synchrotron Excitation Spectra of Lanthanide Ions in Hexafluoroelpasolite Lattices
Chang-Kui Duan , Peter Tanner
The Journal of Physical Chemistry C, 2009
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Crystal field levels in lanthanide systems
M.S.S. Brooks
Journal of Magnetism and Magnetic Materials, 2001
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A ligand field theory-based methodology for the characterization of the Eu2+ [Xe]4f65d1 excited states in solid state compounds
Fanica Cimpoesu
Chemical Physics Letters, 2015
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General calculation of 4f-5d transition rates for rare-earth ions using many-body perturbation theory
Chang-Kui Duan
The Journal of Chemical Physics, 2005
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Structural and Electronic Analysis of Lanthanide Complexes: Reactivity May Not Necessarily Be Independent of the Identity of the Lanthanide Atom − A DFT Study
Henry Chermette
The Journal of Physical Chemistry A, 2006
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CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes
Alessandro Soncini
Journal of Computational Chemistry, 2017
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A complete 4 f n energy level diagram for all trivalent lanthanide ions
Gary Burdick
Journal of Solid State Chemistry, 2005
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A simple model for f→d transitions of rare-earth ions in crystals
Chang-Kui Duan
Journal of Solid State Chemistry, 2003
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Systematic analysis of spectroscopic characteristics of the lanthanide and actinide ions with the 4fN and 5fN (N=1…14) electronic configurations in a free state
Chong-Geng Ma
Journal of Alloys and Compounds, 2014
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