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@ARTICLE{Friedrich:52067,
author = {Friedrich, C. and Schindlmayr, A. and Blügel, S. and
Kotani, T.},
title = {{E}limination of the linearization error in {GW}
calculations based on the linearized augmented-plane-wave
method},
journal = {Physical review / B},
volume = {74},
number = {4},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-52067},
pages = {045104},
year = {2006},
note = {Record converted from VDB: 12.11.2012},
abstract = {This paper investigates the influence of the basis set on
the GW self-energy correction in the full-potential
linearized augmented-plane-wave (LAPW) approach and similar
linearized all-electron methods. A systematic improvement is
achieved by including local orbitals that are defined as
second and higher energy derivatives of solutions to the
radial scalar-relativistic Dirac equation and thus
constitute a natural extension of the LAPW basis set. Within
this approach linearization errors can be eliminated, and
the basis set becomes complete. While the exchange
contribution to the self-energy is little affected by the
increased basis-set flexibility, the correlation
contribution benefits from the better description of the
unoccupied states, as do the quasiparticle energies. The
resulting band gaps remain relatively unaffected, however;
for Si we find an increase of 0.03 eV.},
keywords = {J (WoSType)},
cin = {CNI / IFF-TH-I / JARA-FIT},
ddc = {530},
cid = {I:(DE-Juel1)VDB381 / I:(DE-Juel1)VDB30 /
$I:(DE-82)080009_20140620$},
pnm = {Grundlagen für zukünftige Informationstechnologien},
pid = {G:(DE-Juel1)FUEK412},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000239426800021},
doi = {10.1103/PhysRevB.74.045104},
url = {https://juser.fz-juelich.de/record/52067},
}