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VOLUME 120 (2024) | ISSUE 3 | PAGE 217
On exchange-correlation energy in DFT scenarios
Abstract
Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the Ne -electron systems in terms of the electron density n_{\sigma e}\left(r\right) needed to obtain the ground-state energy Ee0 in Density Functional theory scenarios, we approach the exchange-correlation energy 
E_{xc}\left[ n_{\sigma e}(r)\right] by considering the interelectronic position corrections \Delta r_{x}^{\uparrow \uparrow ,\uparrow \downarrow
}\hm=\lambda _{x}\left\vert \delta r^{\uparrow \uparrow }-\delta r^{\uparrow
\downarrow }\right\vert and \Delta r_{c}^{e_{i}e_{j\neq i}}=\lambda
_{c}\left\vert r-r^{\prime }\right\vert ^{-\left(N_{e}-1\right) ^{-1}} corresponding to the spin and the Coulomb correlation effects, respectively, through the electron-electron potential energy. Exploiting such corrections, we get approximate expressions for the exchange E_{x}\left[ n_{\sigma e}
\right] and the correlation E_{c}\left[ n_{\sigma e}\right] functional energies which could be interpreted in terms of magnetic and electric dipole potential energies associated with the charge density n_{\sigma e}\left(r\right) described by inverse-square potential behaviors. Based on these arguments, we expect that such obtained exchange-correlation functional energy could be considered in the Local Density Approximation functional as an extension to frame such interelectronic effects.