Phys. Rev. B 62, 16063–16068 (2000)Image potential and the exchange-correlation weighted density approximation functionalReceived 20 June 2000; published in the issue dated 15 December 2000 It is known that the exchange-correlation (XC) potential vXC obtained by using the weighted density approximation (WDA) does not yield the correct image behavior -1/4z outside a metal surface. Some authors have speculated 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, we show that this symmetrization procedure does not improve the XC potential vXC, and makes it unphysical. Alternatively, we present a WDA scheme based 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 potencial vXC has the correct image decay. © 2000 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.62.16063
DOI:
10.1103/PhysRevB.62.16063
PACS:
73.20.-r, 71.15.Mb, 71.45.-d, 71.10.Ca
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