Publication
Title
Exchange energy for two closed shells generated by a bare Coulomb potential energy in the limit of large Z, in two dimensions
Author
Abstract
Two-dimensional (2D) inhomogeneous electron assemblies are becoming increasingly important in Condensed Matter and associated technologies. Here, therefore, we contribute to the Density Functional Theory of such 2D electronic systems by calculating, analytically, (i) the idempotent Dirac density matrix gamma (r, r') generated by two closed shells for the bare Coulomb potential - Ze(2)/r and (ii) the exchange energy density epsilon(X) (r). Some progress is also possible concerning the exchange potential V(X) (r), one non-local approximation being the Slater potential 2(epsilon X) (r)/n(r), with n(r) the ground state electron density. However, to complete the theory of V(X) (r), the functional derivative of the single-particle kinetic energy per unit area delta t (s)/delta n(r) is still required.
Language
English
Source (journal)
Journal of mathematical chemistry. - Basel
Publication
Basel : 2010
ISSN
0259-9791
Volume/pages
47:4(2010), p. 1313-1322
ISI
000276760300010
Full text (Publishers DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 01.03.2012
Last edited 06.05.2017
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