Bayesian error estimation in density-functional theory

Physical Review Letters

Volumn 95, Issue 21, 2005, Pages

  Mortensen, J J ^a   Kaasbjerg, K ^a   Frederiksen, S L ^a   Norskov J K ^a   Sethna, J P ^b   Jacobsen, K W ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAYESIAN ERROR ESTIMATION; CORRELATION FUNCTIONALS; ERROR BARS; VIBRATIONAL FREQUENCIES;

BINDING ENERGY; CORRELATION METHODS; FREQUENCIES; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; STATISTICS;

ERROR ANALYSIS;

BAYES THEOREM; BIOLOGICAL MODEL; CHEMICAL MODEL;

BAYES THEOREM; MODELS, BIOLOGICAL; MODELS, CHEMICAL;

EID: 28844495864     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.95.216401     Document Type: Article

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