Abstract:Density functional theory (DFT) is one of the primary approaches to get a solution to the manybody Schrodinger equation. The essential part of the DFT theory is the exchange-correlation (XC) functional, which can not be obtained in analytical form. Accordingly, the accuracy improvement of the DFT is mainly based on the development of XC functional approximations. Commonly, they are built upon analytic solutions in low-and high-density limits and result from quantum Monte Carlo or post-Hartree-Fock numerical ca… Show more
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