OPTIMIZED QUASIPARTICLE DENSITY FUNCTIONAL APPROACH FOR MULTIELECTRON ATOMIC SYSTEMS

We present the optimized version of the quasiparticle density functional theory (DFT), constructed on the principles of the Landau-Migdal Fermi-liquids theory and principles of the optimized one-quasiparticle representation in theory of multielectron systems. The master equations can be naturally obtained on the basis of variational principle, starting from a Lagrangian of an atomic system as a functional of three quasiparticle densities. These densities are similar to the Hartree-Fock (HF) electron density and kinetical energy density correspondingly, however the third density has no an analog in the Hartree-Fock or the standard DFT theory and appears as result of account for the energy dependence of the mass operator S. The elaborated approach to construction of the eigen-functions basis can be characterized as an improved one in comparison with similar basises of other one-particle representations, namely, in the HF, the standard Kohn-Sham approximations etc.