|
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
|
|
|
|
|
|
|
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. |
|
|
|
Language
|
|
|
|
English
|
|
|
Source (journal)
|
|
|
|
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
|
|
|
Publication
|
|
|
|
Lancaster, Pa
:
2010
|
|
|
ISSN
|
|
|
|
1094-1622
[online]
1050-2947
[print]
|
|
|
DOI
|
|
|
|
10.1103/PHYSREVA.81.014502
|
|
|
Volume/pages
|
|
|
|
81
:1
(2010)
, p. 014502-1-014502-2
|
|
|
ISI
|
|
|
|
000274001500164
|
|
|
Full text (Publisher's DOI)
|
|
|
|
|
|
|
Full text (open access)
|
|
|
|
|
|