DFT study of the Jahn-Teller impurity Rh2+ in octahedral symmetry

International Journal of Quantum Chemistry

Volumn 91, Issue 2 SPEC, 2003, Pages 202-207

  Barriuso, M T ^a   Fernández, P García ^a   Aramburu, J A ^a   Moreno, M ^a  

^a UNIVERSITY OF CANTABRIA   (Spain)

Author keywords

DFT calculations; Impurities in insulators; Jahn Teller effect; NaCl:Rh2+; RhCl64

Indexed keywords

CHARGE TRANSFER; FREQUENCIES; GROUND STATE; IMPURITIES; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; RHODIUM COMPOUNDS; SODIUM CHLORIDE;

MAGNETIC CIRCULAR DICHROISM;

ATOMIC PHYSICS;

EID: 0037438862     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10389     Document Type: Conference Paper

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