First-principles calculation of spectral features, chemical shift and absolute threshold of ELNES and XANES using a plane wave pseudopotential method

Journal of Physics Condensed Matter

Volumn 21, Issue 10, 2009, Pages

  Mizoguchi, Teruyasu ^a   Tanaka, Isao ^b,c   Gao, Shang Peng ^d   Pickard, Chris J ^e  

^a UNIVERSITY OF TOKYO   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c JAPAN FINE CERAMICS CENTER   (Japan)

^d FUDAN UNIVERSITY   (China)

^e UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

A PLANES; ALN; CORE HOLES; ELECTRON ENERGY LOSS NEAR-EDGE STRUCTURES; FIRST-PRINCIPLES CALCULATIONS; PSEUDOPOTENTIAL; PSEUDOPOTENTIALS; SPECTRAL FEATURES; X RAY ABSORPTION NEAR-EDGE STRUCTURES;

CHEMICAL SHIFT; COMMUNICATION CHANNELS (INFORMATION THEORY); ELASTIC WAVES; ENERGY DISSIPATION; GALLIUM; OXIDE MINERALS; TITANIUM DIOXIDE; TITANIUM OXIDES; X RAY ANALYSIS;

CHEMICAL COMPOUNDS;

EID: 65449122753     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/10/104204     Document Type: Article

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