Title




Nonrelativistic exchangeenergy density and exchange potential in the lowest order of the 1/Z expansion for tenelectron atomic ions
 
Author




 
Abstract




The Dirac exchange energy Ex has a density epsilon (x)(r) in a spherically symmetric tenelectron atomic ion that is determined by the idempotent firstorder 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 largeZ limit. The Slater approximation to the exchange potential Vx(r), namely, VSla(r)=2 epsilon (x)(r)/rho (r) with rho (r) the groundstate electron density, is also plotted for Z=92. In the largeZ limit, Vx(r) can be obtained by functional differentiation of the resultant exchange energy, and is expressed in terms of electron and kineticenergy densities. Numerical calculations, based on VSla(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




10941622
[online]
10502947
[print]
 
Volume/pages




62
:6
(2000)
, p. 18
 
Article Reference




062512
 
ISI




000165697200043
 
Medium




Eonly publicatie
 
Full text (Publisher's DOI)




 
Full text (open access)




 
