Benchmark of density functional theory methods on the prediction of bond energies and bond distances of noble-gas containing molecules

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Lai, Tai Yuan ^a   Yang, Chun Yu ^a   Lin, Hsiao Jing ^a   Yang, Chang Yu ^a   Hu, Wei Ping ^a  

^a NATIONAL CHUNG CHENG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BOND DISTANCE; BOND ENERGIES; CCSD; DENSITY FUNCTIONAL THEORY METHODS; FUNCTIONALS; HYBRID DFT; HYBRID FUNCTIONALS; REFERENCE ENERGY;

CHEMICAL BONDS; ERRORS; INERT GASES; MOLECULES;

DENSITY FUNCTIONAL THEORY;

EID: 79960182420     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3603455     Document Type: Article

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