Title
Exchange energy for two closed shells generated by a bare Coulomb potential energy <tex>$-Ze^{2}/r$</tex> in the limit of large Z, in two dimensions
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Basel ,
Subject
Mathematics
Chemistry
Source (journal)
Journal of mathematical chemistry. - Basel
Volume/pages
47(2010) :4 , p. 1313-1322
ISSN
0259-9791
ISI
000276760300010
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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.
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