High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. An ab initio embedded cluster study

Journal of Chemical Physics

Volumn 118, Issue 4, 2003, Pages 1921-1928

  Seijo, Luis ^a   Barandiarán, Zoila ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CESIUM COMPOUNDS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; HIGH PRESSURE EFFECTS; HYDROSTATIC PRESSURE; LATTICE CONSTANTS; LUMINESCENCE OF SOLIDS; PHONONS; QUANTUM THEORY;

AB INITIO MODEL POTENTIAL; FRANCK-CONDON ENERGY DIFFERENCES; SOFTWARE PACKAGE MOLCAS-5; SUBSTITUTIONAL DEFECTS; ZERO-PHONON;

MOLECULAR STRUCTURE;

EID: 0037460233     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1531659     Document Type: Article

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