On the parameterization of the local correlation functional. What is Becke-3-LYP?

1997/04/01 by Roland H. Hertwig, Wolfram Koch · 28 citations
Physics and Astronomy · Chemistry · Chemical Engineering · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Catalysis and Oxidation Reactions

paper · doi:10.1016/s0009-2614(97)00207-8

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