Journal of Chemical Physics, Vol.106, No.7, 2675-2680, 1997
Hybrid Schemes Combining the Hartree-Fock Method and Density-Functional Theory - Underlying Formalism and Properties of Correlation Functionals
Hybrid schemes that combine elements of the Hartree-Fock and the Kohn-Sham procedures are shown here to have a rigorous formal basis within exact density-functional theory. Properties of the exact correlation energy and its functional derivative, corresponding to each hybrid scheme, are introduced and the correlation energy is expressed by a coupling constant integral. The coupling constant expansions of hybrid correlation energies are considered.