A mixed-basis approach for the efficient calculation of potential energy surfaces

Surface Science

Volumn 402-404, Issue , 1998, Pages 827-830

  Gulseren O ^a   Bird, D M ^a   Humphreys, S E ^a  

^a UNIVERSITY OF BATH   (United Kingdom)

Author keywords

Ab initio quantum chemical methods and calculations; Chemisorption; Copper; Density functional calculations; Hydrogen; Low index single crystal surfaces; Models of surface chemical reaction

Indexed keywords

CHEMISORPTION; DISSOCIATION; HYDROGEN; QUANTUM THEORY; SINGLE CRYSTALS;

DENSITY FUNCTIONAL THEORY; LOW INDEX SINGLE CRYSTAL SURFACES;

COPPER;

EID: 0031641963     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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