Accurate surface and adsorption energies from many-body perturbation theory

Nature Materials

Volumn 9, Issue 9, 2010, Pages 741-744

  Schimka, L ^a   Harl, J ^a   Stroppa, A ^b,c   Gruneis A ^a   Marsman, M ^a   Mittendorfer, F ^a   Kresse, G ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b Istituto di Farmacologia Traslazionale   (Italy)

^c UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; APPROXIMATION ALGORITHMS; CARBON; CARBON MONOXIDE; COMPUTATION THEORY; INTERFACIAL ENERGY; LATTICE CONSTANTS; PERTURBATION TECHNIQUES; TRANSITION METALS;

ADSORPTION ENERGIES; CHEMISORPTION ENERGY; CORRELATION ENERGY; DENSITY FUNCTIONALS; KOHN-SHAM DENSITY-FUNCTIONAL THEORY; MANY BODY PERTURBATION THEORY; RANDOM PHASE APPROXIMATIONS; TRANSITION METAL SURFACES;

DENSITY FUNCTIONAL THEORY;

EID: 77956062988     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat2806     Document Type: Article

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