TMTSF transfer integral

Input data for the calculation were the known room-temperature structure [17] and vibrational studies of TMTSF [18]. As suggested by the structural data, the dimerization amplitude u was taken to be 0.03 A. The parameters, whose value is adjustable and determined by the fitting of the experimental data, are the transfer integral t, the gap amplitude Ak, the e-mv coupling constants g and the core dielectric constant Coo- Use of the selFconsistent relations mentioned before allows us to determine the e-p parameter (di/d u) and the percentage contribution of the static potential to the gap A. ... 

As for a more detailed comparison between theory and experiment, we cannot expect, of course, that all the features of the measured spectra can be accurately reproduced with a model as simple and rough as the one we have used for our calculations. For instance, in the case of (TMTSF)2C104, in order to reproduce the amplitudes of the observed vibronic structures, we have to use a gap parameter that causes the c culated conductivity maximum to be higher in frequency than the observed one. This kind of discrepancy is much less pronounced in the case of (TMTSF)2PF5, although both the gap parameter and the transfer integral are veiy similar to those of the 104" salt. 

It has been demonstrated some years ago that the (TMTSF)2X salts have a columnar structure. From the band structure calculations, it has been found that the intrastack transfer integrals of these salts are larger than... 

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