Quasiparticle electronic structure of copper in the GW approximation.
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- Physical review letters
دوره 88 1 شماره
صفحات -
تاریخ انتشار 2002