Effective electron Hamiltonian for a quasi one-dimensional system. The (TMTSF)2X and the (TMTTF)2X systems

In this paper we have introduced a variational approach to investigate the ground state of a model which includes both the Holstein electron-phonon interaction and the extended Hubbard electron-electron interaction. We have considered a variational state for the phonon subsystem which generalizes the previous used forms. This state allows to take into account the possibility of extended phonon mediated correlations. The effective electron Hamiltonian, which we have obtained, includes first and second neighbor electron-electron interaction terms. We have treated exactly, through a Lanczos method, this effective model in the one-dimensional case. We have applied our method to two Bechgaard salts and in these cases we have estimated the correlation parameters. We have shown that the introduction of electron-phonon interaction allows an estimate of the on site U and nearest-neighbor V Coulomb repulsion, which are in agreement with the experimental optical spectra of the above mentioned two compounds. Received: 30 October 1997 / Revised: 28 January 1998 / Accepted: 10 April 1998