Density functional theory with BLYP correlation

The interaction of the acetylene molecule with the (100) surface of copper was studied using the cluster model approach. All the calculations have been performed using the Density Functional Theory. The BLYP method included in the Gaussian 98 [30] package was used. This method combines the gradient corrected exchange functional of Becke [31] with the gradient corrected correlation functional of Lee et al [32]. 

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