First-principles extrapolation method for accurate CO adsorption energies on metal surfaces

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 16, 2004, Pages

  Mason, Sara E ^a   Grinberg, Ilya ^a   Rappe, Andrew M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY; EXCITATION; MATHEMATICAL ANALYSIS; QUANTUM CHEMISTRY; QUANTUM MECHANICS; SURFACE PROPERTY;

EID: 42749102567     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.161401     Document Type: Article

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