The performance of density functional and wavefunction-based methods for 2D and 3D structures of Au10

Journal of Computational Chemistry

Volumn 34, Issue 23, 2013, Pages 1975-1981

  Götz, Daniel A ^a   Schäfer, Rolf ^a   Schwerdtfeger, Peter ^b  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b MASSEY UNIVERSITY   (New Zealand)

Author keywords

gold clusters, structure and energetics density functional theory coupled cluster theory; M ller Plesset perturbation theory

Indexed keywords

COUPLED-CLUSTER THEORY; DENSITY FUNCTIONAL APPROXIMATIONS; DENSITY FUNCTIONALS; PERTURBATION THEORY; QUANTUM CHEMICAL CALCULATIONS; SMALL GOLD CLUSTERS; STRUCTURE AND ENERGETICS; WAVE-FUNCTION BASED METHODS;

CLUSTER ANALYSIS; GOLD; GOLD COMPOUNDS; ISOMERS; NUMERICAL METHODS; QUANTUM CHEMISTRY; THREE DIMENSIONAL;

DENSITY FUNCTIONAL THEORY;

EID: 84880703857     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23338     Document Type: Article

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