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Title
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Pauli potential from Heilmann-Lieb electron density obtained by summing hydrogenic closed-shell densities over the entire bound-state spectrum
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Author
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Abstract
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| Independently, in the mid-1980s, several groups proposed to bosonize the density-functional theory (DFT) for fermions by writing a Schrödinger equation for the density amplitude ρ(r)1/2, with ρ(r) as the ground-state electron density, the central tool of DFT. The resulting differential equation has the DFT one-body potential V(r) modified by an additive term VP(r) where P denotes Pauli. To gain insight into the form of the Pauli potential VP(r), here, we invoke the known Coulombic density, ρ∞(r) say, calculated analytically by Heilmann and Lieb (HL), by summation over the entire hydrogenic bound-state spectrum. We show that VP∞(r) has simple limits for both r tends to infinity and r approaching zero. In particular, at large r, VP∞(r) precisely cancels the attractive Coulomb potential -Ze2/r, leaving V(r)+VP∞(r) of O(r-2) as r tends to infinity. The HL density ρ∞(r) is finally used numerically to display VP∞(r) for all r values. |
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Language
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English
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Source (journal)
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Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
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Publication
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Lancaster, Pa
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2011
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ISSN
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1094-1622
[online]
1050-2947
[print]
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DOI
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10.1103/PHYSREVA.83.014502
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Volume/pages
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83
:1
(2011)
, p. 014502,1-014502,3
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Article Reference
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014502
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ISI
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000286743700004
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Medium
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E-only publicatie
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Full text (Publisher's DOI)
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Full text (open access)
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