Benchmarking van der Waals density functionals with experimental data: Potential-energy curves for H 2 molecules on Cu(111), (100) and (110) surfaces

Journal of Physics Condensed Matter

Volumn 24, Issue 42, 2012, Pages

  Lee, Kyuho ^a   Berland, Kristian ^b   Yoon, Mina ^c   Andersson, Stig ^d   Schröder, Elsebeth ^b   Hyldgaard, Per ^b   Lundqvist, Bengt I ^b  

^a RUTGERS UNIVERSITY   (United States)

^b CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CU SURFACES; CU(1 1 1); DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONALS; EXCHANGE FUNCTIONAL; NONLOCAL CORRELATIONS; POTENTIAL ENERGY CURVES; VAN DER WAALS;

BACKSCATTERING; EXPERIMENTS; MOLECULES; PHYSISORPTION; POTENTIAL ENERGY; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

COPPER; HYDROGEN;

ARTICLE; CHEMICAL MODEL; CHEMICAL PHENOMENA; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY; SURFACE PROPERTY; THERMODYNAMICS;

COPPER; HYDROGEN; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, CHEMICAL; QUANTUM THEORY; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84867281669     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/42/424213     Document Type: Article

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