TY  - JOUR
AU  - Cano-Cortéz, L.
AU  - Dolfen, A.
AU  - Merino, J.
AU  - Behler, J.
AU  - Delley, B.
AU  - Reuter, K.
AU  - Koch, E.
TI  - Spectral broadening due to long-range Coulomb interactions in the molecular metal TTF-TCNQ
JO  - The European physical journal / B
VL  - 56
SN  - 1434-6028
CY  - Berlin
PB  - Springer
M1  - PreJuSER-59206
SP  - 173 - 176
PY  - 2007
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000246277300001
DO  - DOI:10.1140/epjb/e2007-00110-y
UR  - https://juser.fz-juelich.de/record/59206
ER  -