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Mechanisms of f–f hypersensitive transition intensities of lanthanide trihalide molecules: a spin–orbit configuration interaction study

https://doi.org/10.1007/s00214-014-1517-2
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states
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A progress report on the status of the COLUMBUSMRCI program system
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Transition Intensities
inferredcites →https://doi.org/10.1007/bfb0116556openalex-snapshot
The intensities of lanthanide f ↔ f transitions
inferredcites →https://doi.org/10.1007/s00214-006-0143-zopenalex-snapshot
QM/MM: what have we learned, where are we, and where do we go from here?
inferredcites →https://doi.org/10.1007/s00894-010-0708-6openalex-snapshot
Near-field enhancement of infrared intensities for f-f transitions in Er3+ ions close to the surface of silicon nanoparticles
inferredcites →https://doi.org/10.1016/0009-2614(74)85001-3openalex-snapshot
Dynamic coupling contributions to the intensity of hypersensitive lanthanide transitions
inferredcites →https://doi.org/10.1016/0009-2614(82)80050-xopenalex-snapshot
An approximate method to incorporate spin—orbit effects into calculations using effective core potentials
inferredcites →https://doi.org/10.1016/0009-2614(83)80341-8openalex-snapshot
Anisotropic ligand polarizability contributions to lanthanide 4f → 4f intensity parameters
inferredcites →https://doi.org/10.1016/0010-8545(88)80013-4openalex-snapshot
The molecular geometry of gas-phase metal halides
inferredcites →https://doi.org/10.1016/0022-2313(77)90044-8openalex-snapshot
Charge transfer effects on the luminescent properties of Eu3+ in oxysulfides
inferredcites →https://doi.org/10.1016/0022-2313(96)00084-1openalex-snapshot
Intensity parameters of 4f—4f transitions in the Eu(dipivaloylmethanate)3 1, 10-phenanthroline complex
inferredcites →https://doi.org/10.1016/0022-2860(78)87144-0openalex-snapshot
The intensities of laporte forbidden transitions of the d- and f-block transition metal ions
inferredcites →https://doi.org/10.1016/0022-3697(66)90236-8openalex-snapshot
On the Eu3+ fluorescence in mixed metal oxides
inferredcites →https://doi.org/10.1016/0022-3697(91)90152-popenalex-snapshot
Theoretical intensities of 4f-4f transitions between stark levels of the Eu3+ ion in crystals
inferredcites →https://doi.org/10.1016/0022-3697(93)90141-dopenalex-snapshot
Theoretical intensities of 4f-4f transitions between stark levels of the Eu3+ ion in crystals
inferredcites →https://doi.org/10.1016/0038-1098(66)90034-2openalex-snapshot
Linear crystal-field terms and the 5Do - 7Fo transition of the Eu3+ ion
inferredcites →https://doi.org/10.1016/0092-640x(73)90020-xopenalex-snapshot
Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120
inferredcites →https://doi.org/10.1016/0925-8388(92)90367-iopenalex-snapshot
Recent extensions to crystal-field and transition-intensity models
inferredcites →https://doi.org/10.1016/0925-8388(93)90338-nopenalex-snapshot
Additional operators for crystal field and transition intensity models
inferredcites →https://doi.org/10.1016/0925-8388(94)07000-8openalex-snapshot
Optical excitations in lanthanide and actinide compounds
inferredcites →https://doi.org/10.1016/j.cplett.2007.02.038openalex-snapshot
Using singular value decomposition for a compact presentation and improved interpretation of the CIS wave functions
inferredcites →https://doi.org/10.1016/j.cplett.2011.01.077openalex-snapshot
An ab initio study on the f-f hypersensitive transition intensities of lanthanide tribromide molecules
inferredcites →https://doi.org/10.1016/j.jallcom.2008.09.059openalex-snapshot
Lanthanide charge transfer energies and related luminescence, charge carrier trapping, and redox phenomena
inferredcites →https://doi.org/10.1016/j.jlumin.2004.07.003openalex-snapshot
The Eu3+ charge transfer energy and the relation with the band gap of compounds
inferredcites →https://doi.org/10.1016/j.jlumin.2007.03.005openalex-snapshot
Extended parametrization scheme of f-spectra
inferredcites →https://doi.org/10.1016/j.jlumin.2011.06.054openalex-snapshot
Hypersensitivity in the 4f–4f absorption spectra of tris (acetylacetonato) neodymium(III) complexes with imidazole and pyrazole in non-aqueous solutions. Effect of environment on hypersensitive transitions
inferredcites →https://doi.org/10.1016/j.jphotochemrev.2004.10.003openalex-snapshot
Strategies for the design of luminescent lanthanide(III) complexes and their photonic applications
inferredcites →https://doi.org/10.1016/s0010-8545(00)82044-5openalex-snapshot
Hypersensitivity in the electronic transitions of lanthanide and actinide complexes
inferredcites →https://doi.org/10.1016/s0022-2313(00)00197-6openalex-snapshot
The 4f ↔4f − 15d transitions of the trivalent lanthanides in halogenides and chalcogenides
inferredcites →https://doi.org/10.1016/s0166-1280(98)00161-4openalex-snapshot
Relativistic dsp-model core potentials for main group elements in the fourth, fifth and sixth row and their applications
inferredcites →https://doi.org/10.1016/s0166-1280(98)00167-5openalex-snapshot
Model core potentials for the lanthanides
inferredcites →https://doi.org/10.1016/s0166-1280(98)00171-7openalex-snapshot
Spin–orbit CI study on multiplet terms of trivalent lanthanide cations
inferredcites →https://doi.org/10.1016/s0277-5387(97)00138-1openalex-snapshot
Mixed-ligand lanthanide complexes—XI. Absorption spectra and hypersensitivity in the complexes of PrIII, NdIII, HoIII and ErIII in nonaqueous solutions
inferredcites →https://doi.org/10.1016/s0370-1573(97)00077-xopenalex-snapshot
Theoretical description of the spectroscopic properties of rare earth ions in crystals
inferredcites →https://doi.org/10.1016/s0925-8388(01)01185-9openalex-snapshot
Judd–Ofelt theory in a new light on its (almost) 40th anniversary
inferredcites →https://doi.org/10.1016/s0925-8388(02)00305-5openalex-snapshot
Covalency in f-element bonds
inferredcites →https://doi.org/10.1016/s0925-8388(96)02540-6openalex-snapshot
Vibronic intensity parameters for Er3+ in Cs2NaErCl6
inferredcites →https://doi.org/10.1016/s1002-0721(07)60420-7openalex-snapshot
New Opportunities for Lanthanide Luminescence
inferredcites →https://doi.org/10.1016/s1386-1425(03)00312-3openalex-snapshot
Optical absorption and NMR spectroscopic studies on paramagnetic trivalent lanthanide complexes with 2,2′-bipyridine.
inferredcites →https://doi.org/10.1021/ba-1967-0071.ch008openalex-snapshot
Electronic Spectra of Lanthanide Compounds in the Vapor Phase
inferredcites →https://doi.org/10.1021/cr8003983openalex-snapshot
Lanthanide-Based Luminescent Hybrid Materials
inferredcites →https://doi.org/10.1021/ja00771a014openalex-snapshot
Calculation of ground and excited state potential surfaces of conjugated molecules. I. Formulation and parametrization
inferredcites →https://doi.org/10.1021/jp100607yopenalex-snapshot
Er3+ Electronic Energy Levels in GaN
inferredcites →https://doi.org/10.1021/jp9049507openalex-snapshot
Theoretical Study on the f−f Transition Intensities of Lanthanide Trihalide Systems
inferredcites →https://doi.org/10.1021/jp9901242openalex-snapshot
Spin−Orbit Configuration Interaction Using the Graphical Unitary Group Approach and Relativistic Core Potential and Spin−Orbit Operators
inferredcites →https://doi.org/10.1039/b905604copenalex-snapshot
Lanthanide luminescence for functional materials and bio-sciences
inferredcites →https://doi.org/10.1039/j29660000370openalex-snapshot
The circular dichroism and absorption spectra of alkaloids containing the aniline chromophore. The absolute configuration of calycanthine
inferredcites →https://doi.org/10.1063/1.1558471openalex-snapshot
Natural transition orbitals
inferredcites →https://doi.org/10.1063/1.1668773openalex-snapshot
Electron Correlation Models for Optical Activity
inferredcites →https://doi.org/10.1063/1.1669488openalex-snapshot
Effective Operators and Spectroscopic Properties
inferredcites →https://doi.org/10.1063/1.1669893openalex-snapshot
Electronic Energy Levels in the Trivalent Lanthanide Aquo Ions. I. Pr3+, Nd3+, Pm3+, Sm3+, Dy3+, Ho3+, Er3+, and Tm3+
inferredcites →https://doi.org/10.1063/1.1669895openalex-snapshot
Electronic Energy Levels of the Trivalent Lanthanide Aquo Ions. III. Tb3+
inferredcites →https://doi.org/10.1063/1.1669896openalex-snapshot
Electronic Energy Levels of the Trivalent Lanthanide Aquo Ions. IV. Eu3+
inferredcites →https://doi.org/10.1063/1.1670099openalex-snapshot
Environmental Effects on f–f Transitions. II. “Hypersensitivity” in Some Complexes of Trivalent Neodymium
inferredcites →https://doi.org/10.1063/1.1673415openalex-snapshot
Environmental Effects on f–f Transitions. III. Spectral Intensities of Lanthanide Nitrate, Sulfate, and α-Picolinate Solutions
inferredcites →https://doi.org/10.1063/1.1695840openalex-snapshot
Spectral Intensities of the Trivalent Lanthanides and Actinides in Solution. I. Pr3+, Nd3+, Er3+, Tm3+, and Yb3+
inferredcites →https://doi.org/10.1063/1.1701366openalex-snapshot
Intensities of Crystal Spectra of Rare-Earth Ions
inferredcites →https://doi.org/10.1063/1.1725060openalex-snapshot
Spectrum of Er3+ in Single Crystals of Y2O3
inferredcites →https://doi.org/10.1063/1.1726774openalex-snapshot
Hypersensitive Transitions in Rare-Earth Ions
inferredcites →https://doi.org/10.1063/1.1727588openalex-snapshot
Absorption Spectra of Gaseous NdBr3 and NdI3
inferredcites →https://doi.org/10.1063/1.437372openalex-snapshot
Ionic transitions hypersensitive to environment
inferredcites →https://doi.org/10.1063/1.445761openalex-snapshot
Comparison of calculated and experimental 4f → 4f intensity parameters for lanthanide complexes with isotropic ligands
inferredcites →https://doi.org/10.1063/1.449364openalex-snapshot
Many-body perturbation theory for effective Hamiltonians using nonorthogonal basis sets
inferredcites →https://doi.org/10.1063/1.453354openalex-snapshot
Many-body crystal field calculations. I. Methods of computation and perturbation expansion
inferredcites →https://doi.org/10.1063/1.455125openalex-snapshot
A new contribution to spin-forbidden rare earth optical transition intensities: Gd3+ and Eu3+
inferredcites →https://doi.org/10.1080/00018736200101302openalex-snapshot
Atomic polarizabilities and shielding factors
inferredcites →https://doi.org/10.1080/0026897021000046717openalex-snapshot
Judd—Ofelt theory: past, present and future
inferredcites →https://doi.org/10.1080/00268970410001728834openalex-snapshot
Magnetic dipole transitions in crystals
inferredcites →https://doi.org/10.1080/00268976400100321openalex-snapshot
Hypersensitive pseudoquadrupole transitions in lanthanides
inferredcites →https://doi.org/10.1080/00268977500103321openalex-snapshot
Ligand-polarization contributions to the intensity of hypersensitive trivalent lanthanide transitions
inferredcites →https://doi.org/10.1080/00268977700101051openalex-snapshot
The charge-transfer contribution to the intensity of hypersensitive trivalent lanthanide transitions
inferredcites →https://doi.org/10.1080/00268977800100831openalex-snapshot
Vibronic coupling model for the intensities of f-f transitions in octahedral lanthanide (III) complexes
inferredcites →https://doi.org/10.1080/00268978400100691openalex-snapshot
Parameterization of electric-dipole intensities in the vibronic spectra of rare-earth complexes
inferredcites →https://doi.org/10.1088/0953-4075/33/18/312openalex-snapshot
Relativistic f↔f transitions in crystal fields
inferredcites →https://doi.org/10.1088/0953-4075/34/4/310openalex-snapshot
Relativisticf⟷ftransitions in crystal fields: II. Beyond the single-configuration approximation
inferredcites →https://doi.org/10.1088/0953-8984/15/49/018openalex-snapshot
Systematic behaviour in trivalent lanthanide charge transfer energies
inferredcites →https://doi.org/10.1098/rspa.1961.0175openalex-snapshot
Single determinant wave functions
inferredcites →https://doi.org/10.1103/physrev.127.750openalex-snapshot
Optical Absorption Intensities of Rare-Earth Ions
inferredcites →https://doi.org/10.1103/physrevb.48.9273openalex-snapshot
Sign relation between the static and dynamic contributions to the one-photonf→ftransition amplitude
inferredcites →https://doi.org/10.1143/jpsj.62.2924openalex-snapshot
Ab Initio Calculations of the Multiplet Terms of (TmP4)3+ Cluster
inferredcites →https://doi.org/10.1201/9781420006933openalex-snapshot
Optical Spectroscopy of Lanthanides
inferredcites →https://doi.org/10.1590/s0100-40422003000600018openalex-snapshot
Intensities of 4f-4f transitions in glass materials

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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