Inaccuracy of density functional theory calculations for dihydrogen binding energetics onto ca cation centers

Physical Review Letters

Volumn 103, Issue 21, 2009, Pages

  Cha, Janghwan ^a   Lim, Seokho ^a   Choi, Cheol Ho ^b   Cha, Moon Hyun ^c   Park, Noejung ^a  

^a Dankook University   (South Korea)

^b Kyungpook National University   (South Korea)

^c Seoul National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGETICS; CORRELATED WAVE FUNCTIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIHYDROGEN; DIHYDROGEN ADSORPTION; EXCHANGE-CORRELATION POTENTIAL; H2 MOLECULE; STORAGE CAPACITY;

ADSORPTION; CALCIUM; HYDROGEN STORAGE; POSITIVE IONS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 70450205581     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.103.216102     Document Type: Article

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