Becke exchange

B3P86 Becke exchange, Perdew correlation Hybrid... 

It has one adjustable parameter which was chosen so that the sum of the LDA and Becke exchange terms accurately reproduce the exchange energies of six noble gas atoms. 

Proynov, E., Chermette, H., Salahub, D. R., 2000, New T-Dependent Correlation Functional Combined with a Modified Becke Exchange , J. Chem. Phys., 113, 10013. 

If we use the Becke exchange energy density [15] then (for the spin unpolarized case) we have... 

Becke exchange and LYP correlation functional Complete Active Space Self-Consistent Field Configuration Interaction Complete Neglect Differential Overlap Density Functional Theory... 

For the DFT shift calculations, a combination of the Becke exchange [66] and the Perdew-Wang (PW91) correlation functionals [67] is used while the geometries needed for the shift calculations are normally determined by the so-called B3LYP method, which is based on Becke s three parameter functional (1) [68,69]... 

DFl BLYP Becke exchange functional (Slater exchange plus correction involving the gradient of electron density) (21). Lee, Yang, Parr correlation functioned with local and non-local (gradient-dependent) terms (22). 

A more recent correlation functional is that of Lee, Yang, and Parr[54], which is often used in conjunction with Becke exchange to form BLYP. The enhancement factor for BLYP is plotted in Figure 12. The LYP functional starts from the Colle-... 

Next we examine another correlation functional, called Wilson-Levy (WL)[57]. Figure 13 is a plot of Fxc for BWL, which uses Becke exchange and WL correlation. The WL correlation functional was designed to obey a few, but not all, of the scaling... 

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