The electron density is the number of electrons per unit volume at , summed over all electrons: . Density-functional theory (DFT) computes the ground-state energy as a functional of . In practice is built from Kohn–Sham orbitals, the orbitals of fictitious independent electrons that have the same density as the real ones, and all the effects of exchange and correlation are gathered in an exchange–correlation functional .
Chemistry · Glossary
What is Electron density, density-functional theory?
Also known as: electron density · density-functional theory · Kohn--Sham orbitals · exchange--correlation functional