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Persistent link: https://www.econbiz.de/10009280501
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...
Persistent link: https://www.econbiz.de/10009282717
Persistent link: https://www.econbiz.de/10009280010