Spectrochemical series and the dependence of racah and 10 Dq parameters on the metal-ligand distance: Microscopic origin

Journal of Physical Chemistry A

Volumn 115, Issue 8, 2011, Pages 1423-1432

  Trueba, A ^a   Garcia Fernandez, P ^a   Garcia Lastra J M ^b   Aramburu, J A ^a   Barriuso, M T ^a   Moreno, M ^a  

^a UNIVERSITY OF CANTABRIA   (Spain)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ANTIBONDING; CLUSTER CALCULATIONS; COVALENCIES; CRYSTAL-FIELD SPLITTING; DENSITY DIAGRAM; ELECTRONIC TRANSITION; EQUILIBRIUM DISTANCES; HOST LATTICE; OPTICAL BANDS; ORBITALS; P LIGANDS; R VALUE; RACAH PARAMETERS; S LIGANDS; SALIENT FEATURES; ZERO PRESSURE;

CESIUM; CHROMIUM; EXCITED STATES;

LIGANDS;

LIGAND; METAL;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTROMAGNETIC FIELD; QUANTUM THEORY;

ALGORITHMS; ELECTROMAGNETIC PHENOMENA; LIGANDS; METALS; MODELS, CHEMICAL; QUANTUM THEORY;

EID: 79952015334     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp110586e     Document Type: Article

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