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]
| |
DOI
|
|
|
|
10.1103/PHYSREVA.62.062512
| |
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)
|
|
|
|
| |
|