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arxiv: cond-mat/0110525 · v2 · submitted 2001-10-24 · ❄️ cond-mat.str-el

Quasiparticle Electronic structure of Copper in the GW approximation

classification ❄️ cond-mat.str-el
keywords approximationcoppereffectsphotoemissionself-energytheoryalmostarising
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We show that the results of photoemission and inverse photoemission experiments on bulk copper can be quantitatively described within band-structure theory, with no evidence of effects beyond the single-quasiparticle approximation. The well known discrepancies between the experimental bandstructure and the Kohn-Sham eigenvalues of Density Functional Theory are almost completely corrected by self-energy effects. Exchange-correlation contributions to the self-energy arising from 3s and 3p core levels are shown to be crucial.

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