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VOLUME 120 (2024) | ISSUE 3 |
PAGE 217
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On exchange-correlation energy in DFT scenarios
A. Belhaj+, S. E. Ennadifi* 1)
+ESMaR, Faculty of Sciences, Mohammed V University in Rabat, B.P. 1014 Rabat, Morocco *LHEP-MS, Faculty of Sciences, Mohammed V University in Rabat, B.P. 1014 Rabat, Morocco
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 needed to obtain the ground-state energy Ee0 in Density
Functional theory scenarios, we approach the exchange-correlation energy by considering the interelectronic
position corrections and
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 and the correlation functional
energies which could be interpreted in terms of magnetic and electric dipole
potential energies associated with the charge density 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.
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