Abstract
A nonadiabatic resonating Hartree-Fock method is applied to the one-dimensional extended Hubbard model with a staggered site-diagonal potential and Su-Schrieffer-Heeger-type electron-phonon coupling to clarify the lattice and electronic structures in the charge-density-wave (CDW) ground state. It is shown that small spin-Peierls-type domains and large dimerized CDW domains appear in the main CDW state having an equidistant lattice. Interference of breathing and translational motions of these domains constitutes quantum fluctuations. The natures of different domains are analyzed by L\owdin-Feshbach partitioning method. The present results, indicating the domains in the CDW ground state as quantum fluctuations, are consistent with the experimentally observed THz electric-field-induced changes in the electronic dipole moment in the neutral phase of tetrathiafulvalene-$p$-chloranil (TTF-CA).
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