Exchange energy density of inhomogeneous electron gas near a metal surface |
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Authors: | L. Miglio M.P. Tosi N.H. March |
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Affiliation: | Istituto di Fisica Teorica dell''Università and GNSM-CNR, 1-34014 Trieste, Italy;Theoretical Chemistry Department, University of Oxford, Oxford OX1 3TG, UK |
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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 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. |
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