NOTES ON THE STATIC DIELECTRIC RESPONSE FUNCTION IN THE DENSITY-FUNCTIONAL THEORY

Authors
Citation
Ii. Mazin et Re. Cohen, NOTES ON THE STATIC DIELECTRIC RESPONSE FUNCTION IN THE DENSITY-FUNCTIONAL THEORY, Ferroelectrics, 194(1-4), 1997, pp. 263-270
Citations number
11
Categorie Soggetti
Physics, Condensed Matter","Material Science
Journal title
ISSN journal
00150193
Volume
194
Issue
1-4
Year of publication
1997
Pages
263 - 270
Database
ISI
SICI code
0015-0193(1997)194:1-4<263:NOTSDR>2.0.ZU;2-3
Abstract
We discuss several aspects of the dielectric response theory applicati on to the density functional theory. This field has been an unceasing source of confusion during several decades. The most frequent reasons for this confusion are (a) uncritical transfer of the results, especia lly regarding so-called local field corrections, obtained in many-body perturbation theory onto density functional theory, and (b) mixing up the statements true for the exact density functional theory with thos e applicable to the local density approximation only. In these notes w e try to draw an appropriate lines between those theories. We also dis cuss a newly introduced (X. Gonze, Ph. Ghosez and R. W. Godby, Phys. R et,. Lett., 74, 4035, 1995) ''polarization + density functional'' and show that within a given (e.g., local density) approximation to the e xchange-correlation energy the Gonze et al. approach is exactly equiva lent to the conventional one.