Rationalization of the Hubbard U parameter in CeOx from first principles: Unveiling the role of local structure in screening

Journal of Chemical Physics

Volumn 140, Issue 8, 2014, Pages

  Lu, Deyu ^a   Liu, Ping ^a  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CERIUM OXIDE; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY;

ATOMIC ARRANGEMENT; COMPUTATIONAL COSTS; COORDINATION NUMBER; FIRST PRINCIPLES; LINEAR RESPONSE METHOD; QUANTITATIVE STUDY; STRONG CORRELATION; THEORETICAL STUDY;

CERIUM;

EID: 84896767664     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4865831     Document Type: Article

References (58)

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