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| Autores principales: | , |
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| Formato: | Preprint |
| Publicado: |
2024
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| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2407.09668 |
| Etiquetas: |
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- Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{σe}\left( r\right) $ needed to obtain the ground-state energy $E_{e}$ in Density Functional Theory scenarios, we approach the Exchange-Correlation energy $ E_{xc}\left[ n_{σe}(r)\right] $ by considering the interelectronic position corrections $Δr_{x}^{\uparrow \uparrow ,\uparrow \downarrow }=λ_{x}\left\vert δr^{\uparrow \uparrow }-δr^{\uparrow \downarrow }\right\vert $ and $Δr_{c}^{e_{i}e_{j\neq i}}=λ_{c}\left\vert r-r^{\prime }\right\vert ^{-\left( N_{e}-1\right) ^{-1}}$ 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_{σe} \right] $ and the correlation $E_{c}\left[ n_{σe}\right] $ functional energies which could be interpreted in terms of magnetic and electric dipole potential energies associated with the charge density $n_{σe}\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.