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November 1, 1987Physical review. A, General physics45 citations

Asymptotic formula far from nucleus for exchange energy density in Hartree-Fock theory of closed-shell atoms

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NMN. H. March

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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 e^2/r times the electron density. Thus two lengths enter the asymptotic form in contrast to ^-1/3 alone of local-density theory.

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N. H. March (1987) studied this question.

synapsesocial.com/papers/6a0efa4caa1655e5fb231652https://doi.org/10.1103/physreva.36.5077
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Note on Exchange Phenomena in the Thomas Atom1930 · 3,248 citations
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  4. 4A Simplification of the Hartree-Fock Method1951 · 4,551 citations
  5. 5Density matrices and exchange hole for metal surfaces1976 · 35 citations