Assessment of the performance of common density functional methods for describing the interaction energies of (H2 O)6 clusters

Journal of Chemical Physics

Volumn 132, Issue 13, 2010, Pages

  Wang, F F ^a   Jenness, G ^a   Al Saidi, W A ^a,b   Jordan, K D ^a,c  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b University of Pittsburgh   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL METHODS; DFT CALCULATION; DISPERSION ENERGIES; DISPERSION INTERACTION; ENERGY DECOMPOSITION ANALYSIS; GAIN INSIGHT; INTERACTION ENERGIES; LOCALIZED MOLECULAR ORBITALS; LOW ENERGIES; RANGE DISPERSION; SYMMETRY ADAPTED PERTURBATION THEORY; THREE-BODY INTERACTION; WATER MOLECULE;

CHARGE TRANSFER; COMPLEXATION; DISPERSIONS; ELECTROMAGNETIC DISPERSION; ION EXCHANGE; ISOMERS; MOLECULAR ORBITALS; PERTURBATION TECHNIQUES;

DENSITY FUNCTIONAL THEORY;

EID: 78649764773     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3373815     Document Type: Article

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