Publication
Title
Nonrelativistic exchange-energy density and exchange potential in the lowest order of the 1/Z expansion for ten-electron atomic ions
Author
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.
Language
English
Source (journal)
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
Publication
Lancaster, Pa : 2000
ISSN
1094-1622 [online]
1050-2947 [print]
Volume/pages
62:6(2000), p. 1-8
Article Reference
062512
ISI
000165697200043
Medium
E-only publicatie
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 08.09.2017
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