%0 Journal Article
%A Cano-Cortéz, L.
%A Dolfen, A.
%A Merino, J.
%A Behler, J.
%A Delley, B.
%A Reuter, K.
%A Koch, E.
%T Spectral broadening due to long-range Coulomb interactions in the molecular metal TTF-TCNQ
%J The European physical journal / B
%V 56
%@ 1434-6028
%C Berlin
%I Springer
%M PreJuSER-59206
%P 173 - 176
%D 2007
%Z Record converted from VDB: 12.11.2012
%X We employ density-functional theory to calculate realistic parameters for an extended Hubbard model of the molecular metal TTF-TCNQ. Considering both intra- and intermolecular screening in the crystal, we confirm the importance of the suspected longer-range Coulomb interactions along the molecular stacks, as well as inter-stack coupling. Contrary to past belief, these terms do not lead to the formation of a Wigner lattice, but simply broaden the spectral function.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000246277300001
%R 10.1140/epjb/e2007-00110-y
%U https://juser.fz-juelich.de/record/59206