Modified Shepard interpolation of gas-surface potential energy surfaces with strict plane group symmetry and translational periodicity

Journal of Chemical Physics

Volumn 137, Issue 14, 2012, Pages

  Frankcombe, Terry J ^a   Collins, Michael A ^a   Zhang, Dong H ^b  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL TRAJECTORIES; CRYSTALLINE SOLIDS; GROUP SYMMETRIES; MODEL FUNCTIONS; POLYATOMIC ADSORBATES; REACTION PROBABILITY; SOLID SURFACE;

POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE REACTIONS; TWO DIMENSIONAL;

INTERPOLATION;

EID: 84867529954     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4757149     Document Type: Article

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