Title
Total kinetic energy density for closed shells in a bare Coulomb field solely in terms of s-state information
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
London ,
Subject
Physics
Source (journal)
Journal of physics: A: mathematical and general. - London, 1968 - 2006
Volume/pages
35(2002) :45 , p. L635-L639
ISSN
0305-4470
ISI
000179489700002
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The kinetic energy density t(G) (r), where G denotes the gradient form (delpsi)(2), is known to be a functional of the ground-state density rho(r), but the functional remains unknown. For an arbitrary number of closed shells in a bare Coulomb field, an exact first-order differential equation is derived giving t(G)(r) solely in terms of s-state information. Numerical illustrations are given of the main analytical results.
E-info
https://repository.uantwerpen.be/docman/iruaauth/d86704/4bf2065.pdf
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