Mel Levy, Stanislav Ivanov, Andreas Goerling

A general perturbation theroy and its integral equation formulation are presented in the context of density functional theory. The integral equation approach can be used to generate potentials yielding very accurate approximate ground-state densities and orbital energies within the framework of Kohn-Sham theory. This formulation eliminates the necessity of directly taking cumbersome functional derivatives in order to arrive at the components of the correlation potential.

S. Ivanov and M. Levy, J. Chem. Phys., 116, 6924 (2002).