Abstract
In Hartree-Fock theory, the exchange energy density can be expressed solely in terms of the first-order density matrix. Far from the nucleus of a closed-shell atom, idempotency of the density matrix yields the exchange energy density as the magnitude of the Coulomb energy /r times the electron density ρ. Thus two lengths enter the asymptotic form in contrast to alone of local-density theory.
- Received 24 June 1987
DOI:https://doi.org/10.1103/PhysRevA.36.5077
©1987 American Physical Society