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Exchange energy density of inhomogeneous electron gas near a metal surface
Authors:L. Miglio  M.P. Tosi  N.H. March
Affiliation:Istituto di Fisica Teorica dell''Università and GNSM-CNR, 1-34014 Trieste, Italy;Theoretical Chemistry Department, University of Oxford, Oxford OX1 3TG, UK
Abstract:Using the first-order density matrix of an infinite barrier model of a metal surface, the exchange energy density can be evaluated exactly as a function of the distance z from the barrier. This result is compared with the local approximation ?34e2(3π)13[?(z)]43 where the electron density in the model. The local approximation follows the exact result quite closely at all z but leads to a large percentual error in the integrated surface exchange energy.
Keywords:
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