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 nσ e( r) needed to obtain the ground-state energy Eₑ in Density Functional Theory scenarios, we approach the Exchange-Correlation energy Exc[ nσ e(r)] by considering the interelectronic position corrections Δ rₓ↑ ↑ ,↑ ↓=λ ₓ δ r↑ ↑-δ r↑ ↓ and Δ rc^eᵢej≠ i=λ c r-r ^-( Nₑ-1) ⁻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 Eₓ[ nσ e ] and the correlation Ec[ nσ e] functional energies which could be interpreted in terms of magnetic and electric dipole potential energies associated with the charge density nσ e( r) 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.
No takes yet. Share an insight, caveat, or question.
Belhaj et al. (2024) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: