We present a selfconsistent calculation of the electron distribution at metal surfaces in thepresence of a static electric field in the semi-infinite jellium model. The calculation is based on theHohenberg-Kohn-Sham theory with a nonlocal approximation for the exchange-correlationenergy and potential. For different metallic density r s = 2, 3, 4 we present numerical results for themean position and the spread of the induced charge density. The results for the centroid of thecharge induced by a small field are discussed and compared with the image plane position valuesobtained from the exchange-correlation potential.
Electron density profiles at charged metal surfaces in the weighted density approximation / Ossicini, Stefano; Finocchi, F.; Bertoni, Carlo Maria. - In: SURFACE SCIENCE. - ISSN 0039-6028. - STAMPA. - 189/190:(1987), pp. 776-781.
Electron density profiles at charged metal surfaces in the weighted density approximation
OSSICINI, Stefano;BERTONI, Carlo Maria
1987
Abstract
We present a selfconsistent calculation of the electron distribution at metal surfaces in thepresence of a static electric field in the semi-infinite jellium model. The calculation is based on theHohenberg-Kohn-Sham theory with a nonlocal approximation for the exchange-correlationenergy and potential. For different metallic density r s = 2, 3, 4 we present numerical results for themean position and the spread of the induced charge density. The results for the centroid of thecharge induced by a small field are discussed and compared with the image plane position valuesobtained from the exchange-correlation potential.
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