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Title
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Nonrelativistic exchange-energy density and exchange potential in the lowest order of the 1/Z expansion for ten-electron atomic ions
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Author
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Abstract
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| The Dirac exchange energy E-x has a density epsilon (x)(r) in a spherically symmetric ten-electron atomic ion that is determined by the idempotent first-order density matrix (1 DM). In turn, this 1 DM has as its leading term in the 1/Z expansion, with Z the atomic number, the bare Coulomb result. This latter quantity is known analytically from the study of March and Santamaria [Phys. Rev. A 38, 5002 (1988)]. Here epsilon (x)(r) is calculated analytically, and presented graphically for Z=92 in this large-Z limit. The Slater approximation to the exchange potential V-x(r), namely, V-Sla(r)=2 epsilon (x)(r)/rho (r) with rho (r) the ground-state electron density, is also plotted for Z=92. In the large-Z limit, V-x(r) can be obtained by functional differentiation of the resultant exchange energy, and is expressed in terms of electron and kinetic-energy densities. Numerical calculations, based on V-Sla(r) plus approximate corrections, are also presented. |
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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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2000
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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.62.062512
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Volume/pages
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62
:6
(2000)
, p. 1-8
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Article Reference
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062512
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ISI
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000165697200043
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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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