Asymptotic formula far from nucleus for exchange energy density in Hartree-Fock theory of closed-shell atoms
- 1 November 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 36 (10) , 5077-5078
- https://doi.org/10.1103/physreva.36.5077
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.
Keywords
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