Title
Pauli potential in terms of kinetic energy density and electron density in the leading Coulombic term of the nonrelativistic 1/Z expansion of spherical 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
81(2010) :1
ISSN
1094-1622
1050-2947
ISI
000274001500164
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The Pauli potential VP in density functional theory is known to be the difference between the functional derivative of the single-particle kinetic energy Ts[n] with respect to the electron density n and its von Weizsäcker counterpart. For the leading Coulombic term in the 1/Z expansion for spherical atomic ions, VP[n] is written in terms of the kinetic energy density plus n(r) and its low-order derivatives. For comparison, the example of an arbitrary number of closed shells with purely harmonic confinement is also treated.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/eacecc/96d441c8.pdf
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