Electronic structure, X-ray absorption, and optical spectroscopy of LaCoO 3 in the ground-state and excited-states

Journal of Computational Chemistry

Volumn 33, Issue 6, 2012, Pages 673-684

  Laref, A ^a,b   Laref, S ^c   Bin Omran, S ^a  

^a KING SAUD UNIVERSITY   (Saudi Arabia)

^b NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^c UNIVERSITÉ DE LYON   (France)

Author keywords

electron energy loss spectroscopy; high correlated system; optical spectra; perovskite; spin excitation; X ray absorption spectroscopy

Indexed keywords

COBALT ION; CORE-LEVEL SPECTRA; CORRELATED SYSTEMS; ELECTRON ENERGY LOSS; EXCITED-STATE PROPERTIES; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENTS; HUBBARD; INTERMEDIATE SPINS; LINE SHAPE; LOW TEMPERATURES; METALLIC STATE; OPTICAL SPECTRA; OPTICAL SPECTROSCOPY; PROJECTED DENSITY OF STATE; SHARP CONTRAST; SPIN CONFIGURATIONS; SPIN EXCITATION; SPIN STATE; VALENCE BAND SPECTRA; X-RAY ABSORPTION SPECTRUM;

COBALT; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC STRUCTURE; ENERGY DISSIPATION; GROUND STATE; HYDRAULIC STRUCTURES; IONS; OPTICAL CONDUCTIVITY; PEROVSKITE; SPIN DYNAMICS; X RAY ABSORPTION SPECTROSCOPY;

EXCITED STATES;

EID: 84856748385     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.22896     Document Type: Article

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