Quasiparticle Electronic Structure of Copper in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">GW</mml:mi></mml:math>Approximation

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 band structure 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.