Title
Nonrelativistic exchange-energy density and exchange potential in the lowest order of the 1/Z expansion for ten-electron atomic ions Nonrelativistic exchange-energy density and exchange potential in the lowest order of the 1/Z expansion for ten-electron atomic ions
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Lancaster, Pa ,
Subject
Physics
Source (journal)
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
Volume/pages
62(2000) :6 , p. 1-8
ISSN
1094-1622
1050-2947
1050-2947
Article Reference
062512
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
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.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/47e2d9/6085.pdf
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