Core-hole effect on XANES and electronic structure of minor actinide dioxides with fluorite structure

Journal of Physics and Chemistry of Solids

Volumn 73, Issue 2, 2012, Pages 209-216

  Suzuki, Chikashi ^a   Nishi, Tsuyoshi ^a   Nakada, Masami ^a   Akabori, Mitsuo ^a   Hirata, Masaru ^a   Kaji, Yoshiyuki ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

A. Oxides; C. Ab initio calculations; C. XANES; D. Electronic structure

Indexed keywords

AB INITIO CALCULATIONS; CHARGE-DENSITY ANALYSIS; CORE-HOLE SCREENING; FLUORITE STRUCTURE; FP-LAPW; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; MINOR ACTINIDE; QUASI-BOUND STATE; STANDING WAVE; TAIL STRUCTURE; WHITE LINES; X-RAY ABSORPTION NEAR-EDGE STRUCTURE; XANES;

AMERICIUM; CALCULATIONS; CHARGE TRANSFER; ELECTRONIC STRUCTURE; NEPTUNIUM;

CRYSTAL ATOMIC STRUCTURE;

EID: 84904785235     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2011.10.043     Document Type: Article

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