Prefer a chat interface with context about you and your work?
Lattice density functional theory at finite temperature with strongly density-dependent exchange-correlation potentials
The derivative discontinuity of the exchange-correlation (xc) energy at an integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT) which is absent in many popular local and semilocal approximations. In lattice DFT, approximations exist which exhibit a discontinuity in the xc potential …