Scalable properties of metal clusters: A comparative study of modern exchange-correlation functionals

Journal of Chemical Physics

Volumn 137, Issue 3, 2012, Pages

  Koitz, Ralph ^a   Soini, Thomas M ^a   Genest, Alexander ^a   Trickey, S B ^b   Rösch, Notker ^a,c  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b University of Florida   (United States)

^c INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

BULK-LIMIT; COHESIVE ENERGIES; COMPARATIVE STUDIES; EXCHANGE-CORRELATION FUNCTIONALS; EXCHANGE-CORRELATIONS; EXPERIMENTAL VALUES; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; METAL CLUSTER; MODEL SYSTEM; OCTAHEDRAL STRUCTURES; PD CLUSTERS; TRANSITION-METAL CLUSTERS;

EXTRAPOLATION; IONIZATION POTENTIAL; SOLS; TRANSITION METALS;

PALLADIUM;

EID: 84864206629     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4733670     Document Type: Article

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