Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations in chloroelpasolite crystals

Chemical Physics Letters

Volumn 397, Issue 4-6, 2004, Pages 441-446

  Zbiri, Mohamed ^a   Atanasov, Mihail ^a,b   Daul, Claude ^a   Garcia Lastra, Juan Maria ^c   Wesolowski, Tomasz A ^d  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b BULGARIAN ACADEMY OF SCIENCES   (Bulgaria)

^c UNIVERSITY OF CANTABRIA   (Spain)

^d UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CATION; CHLOROELPASOLITE; FLUOROALUMINATE; LANTHANIDE; LIGAND; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; EMBEDDING; MATHEMATICAL COMPUTING; POLARIZATION; STRUCTURE ANALYSIS;

EID: 7444234781     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.09.010     Document Type: Article

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