Modeling Catalytic Reactions on Surfaces with Density Functional Theory

Modeling and Simulation of Heterogeneous Catalytic Reactions

Volumn , Issue , 2011, Pages 1-38

  Keith, John A ^a   Anton, Josef ^b   Kaghazchi, Payam ^b   Jacob, Timo ^b  

^a Princeton University   (United States)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

Born Oppenheimer approximation; Density functional theory; Exchange correlation functional; Many body wave function; Oxygen reduction reaction; Single particle wave function

Indexed keywords

EID: 84882197929     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527639878.ch1     Document Type: Chapter

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