期刊
EUROPEAN PHYSICAL JOURNAL B
卷 56, 期 3, 页码 173-176出版社
SPRINGER
DOI: 10.1140/epjb/e2007-00110-y
关键词
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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.
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