Quasiparticle electronic structure of copper in the GW approximation.
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.
Marini
Andrea
A
Istituto Nazionale per la Fisica della Materia, Dipartimento di Fisica, Università di Roma Tor Vergata, Via della Ricerca Scientifica, I-00133 Rome, Italy.
Onida
Giovanni
G
Del Sole
Rodolfo
R