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Quasiparticle Electronic structure of Copper in the GW approximation

Andrea Marini·Giovanni Onida·Rodolfo Del Sole
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Abstract

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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Andrea Marini, Giovanni Onida, Rodolfo Del Sole. 2001-11-07. Quasiparticle Electronic structure of Copper in the GW approximation. https://doi.org/10.1103/physrevlett.88.016403

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