Structure and spectroscopy of U4+ defects in Cs2ZrCl6: Ab initio theoretical studies on the 5f2 and 5f16d1 manifolds

Journal of Chemical Physics

Volumn 118, Issue 16, 2003, Pages 7439-7456

  Barandiaran, Zoila ^a   Seijo, Luis ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CALCULATIONS; CESIUM COMPOUNDS; DEFECTS; ELECTRON EMISSION; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; GROUND STATE; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; QUANTUM THEORY; SPECTROSCOPIC ANALYSIS;

CLUSTER METHOD; ELECTRON CORRELATION INTERACTIONS; MANIFOLDS; PHON EMISSION; PHONON ABSORPTION; QUANTUM MECHANICAL EMBEDDING EFFECTS;

URANIUM;

EID: 0038400950     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1561853     Document Type: Article

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