Abstract: We study the effects of electron-electron interactions in halogen-bridged mixed-valence transition-metal linear-chain complexes ({ital MX} chains) applying a simple 3/4-filled two-band discrete tight-binding (extended) Peierls-Hubbard model with both on-site and intersite electron-phonon couplings. We employ a variety of methods: perturbation theory, Hartree-Fock approximation, and exact diagonalization in the limit of classical adiabatic phonons, and a variational approach allowing for a finite phonon frequency, i.e., quantum phonons and isoto...
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Topics: 
Condensed matter physics
Atomic physics