Image potential and the exchange-correlation weighted density approximation functional

Citation
P. Garcia-gonzalez et al., Image potential and the exchange-correlation weighted density approximation functional, PHYS REV B, 62(23), 2000, pp. 16063-16068
Citations number
34
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
23
Year of publication
2000
Pages
16063 - 16068
Database
ISI
SICI code
0163-1829(200012)62:23<16063:IPATEW>2.0.ZU;2-O
Abstract
It is known that the exchange-correlation (XC) potential nu (XC) obtained b y using the weighted density approximation (WDA) does not yield the correct image behavior - 1/4z outside a metal surface. Some authors have speculate d that this limitation could be overcome by symmetrizing the XC hole, using a two-point scaling factor in its modelization by the WDA. In this work, w e show that this symmetrization procedure does not improve the XC potential nu (XC), and makes it unphysical. Alternatively, we present a WDA scheme b ased on an anisotropic scaling for the XC hole, constructed to verify both the normalization of the XC hole and the exact value of the second momenta of the XC hole. In this last case, the potential nu (XC) has the correct im age decay.