CO adsorbed on Cu(001): A comparison between local density approximation and Perdew, Burke, and Ernezerhof generalized gradient approximation

Journal of Chemical Physics

Volumn 114, Issue 1, 2001, Pages 483-488

  Favot, Fabio ^a   Dal Corso, Andrea ^b,c   Baldereschi, Alfonso ^a,c  

^a EPFL   (Switzerland)

^b SISSA   (Italy)

^c INFM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON MONOXIDE; COPPER; GAS ADSORPTION; INTERFACIAL ENERGY; MOLECULAR DYNAMICS;

GENERALIZED GRADIENT APPROXIMATIONS; LOCAL DENSITY APPROXIMATIONS; STRETCHING FREQUENCIES;

CHEMISORPTION;

EID: 0035155330     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1328042     Document Type: Article

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