Orbital-free bond breaking via machine learning

Journal of Chemical Physics

Volumn 139, Issue 22, 2013, Pages

  Snyder, John C ^a   Rupp, Matthias ^b,f   Hansen, Katja ^c   Blooston, Leo ^a   Müller, Klaus Robert ^d,e   Burke, Kieron ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b ETH ZURICH   (Switzerland)

^c FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^d TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^e Korea University   (South Korea)

^f UNIVERSITY OF BASEL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BOND-BREAKING; EXCHANGE-CORRELATION FUNCTIONALS; KINETIC ENERGY DENSITY; KOHN SHAMS; NONLINEAR INTERPOLATION; ONE-DIMENSIONAL MODEL; PROJECTION METHOD; REFERENCE DATA;

INTERPOLATION; KINETICS;

LEARNING SYSTEMS;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; COMPUTER SIMULATION; QUANTUM THEORY;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; COMPUTER SIMULATION; QUANTUM THEORY;

EID: 84903362304     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4834075     Document Type: Article

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