Publication
Title
Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities
Author
Abstract
A differential equation for the Dirac density matrix gamma(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that gamma equivalent to gamma [p, t(g)] where p and t(g). are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important by product of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (C) 2007 Elsevier B.V All rights reserved.
Language
English
Source (journal)
Physics letters: A. - Amsterdam, 1967, currens
Publication
Amsterdam : 2007
ISSN
0375-9601
Volume/pages
370:3-4(2007), p. 351-353
ISI
000250591700026
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 04.05.2017
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