On the use of the BLYP functional for the DFT calculation of graphite-hydrogen systems

Journal of Nuclear Materials

Volumn 396, Issue 2-3, 2010, Pages 307-308

  Alexiadis, Alessio ^a   Kassinos, Stavros ^a  

^a UNIVERSITY OF CYPRUS   (Cyprus)

Author keywords

[No Author keywords available]

Indexed keywords

DFT CALCULATION; FUNCTIONALS; HYDROGEN INTERACTION; HYDROGEN SYSTEM;

FUSION REACTORS; HYDROGEN;

GRAPHITE;

EID: 73449096370     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2009.10.066     Document Type: Letter

References (3)

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2. Andreoni W., and Curioni A. Par. Comp. 26 (2000) 819-842
3. Psofogiannakis G.M., and Froudakis G.E. J. Phys. Chem. C 113 (2009) 14908-14915