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The exact Fermi potential yielding the...
Journal article

The exact Fermi potential yielding the Hartree–Fock electron density from orbital‐free density functional theory

Abstract

Abstract The exact expression for the Fermi potential yielding the Hartree–Fock electron density within an orbital‐free density functional formalism is derived. The Fermi potential, which is defined as that part of the potential that depends on the particles’ nature, is in this context given as the sum of the Pauli potential and the exchange potential. The exact exchange potential for an orbital‐free density functional formalism is shown to be the Slater potential.

Authors

Finzel K; Ayers PW

Journal

International Journal of Quantum Chemistry, Vol. 117, No. 10,

Publisher

Wiley

Publication Date

May 15, 2017

DOI

10.1002/qua.25364

ISSN

0020-7608

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