Helium mediated deposition: Modeling the He-TiO 2(110)- (1×1) interaction potential and application to the collision of a helium droplet from density functional calculations

Journal of Chemical Physics

Volumn 136, Issue 12, 2012, Pages

  Aguirre, Néstor F ^a   Mateo, David ^b   Mitrushchenkov, Alexander O ^c   Pi, Martí ^b   De Lara Castells, Marí Pilar ^a  

^a INSTITUTO DE FÍSICA FUNDAMENTAL   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c Université Paris Est Créteil   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC SPECIES; CLASSICAL DYNAMICS; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL APPROACH; DISPERSION INTERACTION; HELIUM DROPLETS; HELIUM NANODROPLETS; INTERACTION POTENTIALS; METALLIC CLUSTERS; MODEL POTENTIAL; NUMERICAL GRIDS; PERDEW-BURKE-ERNZERHOF; POTENTIAL MODEL; QUANTUM FLUIDS; QUANTUM MECHANICAL; RUTILE SURFACES; RUTILE TIO; SCATTERING CALCULATIONS; TIME EVOLUTIONS; TIME-DEPENDENT; TIO; TWO-PART SERIES; ZERO TEMPERATURES;

DENSITY FUNCTIONAL THEORY; DROPS; DYNAMICS; MORSE POTENTIAL; OXIDE MINERALS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; THREE DIMENSIONAL; TITANIUM DIOXIDE; WAVE FUNCTIONS;

HELIUM;

EID: 84859534737     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3698173     Document Type: Article

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