Conjoint Gradient Corrected Functionals

The most successfnl generalized gradient approach (GGA) forms based on conjointness are the Perdew-Burke-Ernzerhof (PBE)-motivated forms 

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The approach initiated by Lee et al. [28], was rapidly adopted and as a consequence, several kinetic energy conjoint gradient correction functionals were generated. In order to compare the behavior of kinetic energy density functionals constructed in the context of LS-DFT and some members of the... 

Figure 3 Graphical representation of the conjoint gradient correction functions - for the beryllium atom - of Pade43 [37], Pearson [36], LLP [28], TF W, B86A [30] and B86B [34] advanced in HKS-DFT. For comparison the exact Hartree-Fock modulating function and radial distribution D(r) = 4nr2p(r) are also shown.

Lee, H., Lee, C.,and Parr, R. G. (1991) Conjoint gradient correction to the Hartree-Fock kinetic-and exchange-energy density functionals. Phys. Rev., A44, 768-771. Yang, W. (1986) Gradient correcttion in Thomas-Fermi theory. Phys. Rev., A34, 4575-4585. 

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