Exact and approximate solutions of the Peierls–Hubbard model
- 15 January 1987
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 86 (2) , 953-962
- https://doi.org/10.1063/1.452242
Abstract
The exact eigenvalues for the ground state and the excitation spectra were obtained for a system with two electrons on two sites, taking into account the transfer energy, the Coulomb repulsion on the same site, and the intersite correlation energy. The vibrational modes couple linearly to the electronic density. We discuss the interplay of these interactions resulting in different phases of distorted and undistorted eigenstates with corresponding localized and delocalized electronic wave functions and accompanying charge transfer. Several simple approximation schemes generalizable to larger systems are evaluated. The comparison with the exact results shows that their validity depends strongly on the system parameters. The according limits of applicability are discussed.Keywords
This publication has 22 references indexed in Scilit:
- Non-adiabatic electron-phonon coupling in the two-sites two-electrons systemZeitschrift für Physik B Condensed Matter, 1986
- Treatment of non-adiabatic Hamiltonians by matrix continued fractions. I. Electronic two-level system coupled to a single vibrational modeJournal of Physics C: Solid State Physics, 1986
- Roughening and pinning transitions for the polaronJournal of Physics A: General Physics, 1986
- Electronic correlations in Peierls systemsJournal of Physics C: Solid State Physics, 1984
- Linear vibronic coupling in a general two level systemThe Journal of Chemical Physics, 1981
- Interaction of electrons with acoustic phonons via the deformation potential in one dimensionPhysical Review B, 1976
- Adiabatic Theory of an Electron in a Deformable ContinuumPhysical Review Letters, 1976
- Electron correlations in narrow energy bands III. An improved solutionProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1964
- Electron correlations in narrow energy bands. II. The degenerate band caseProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1964
- Studies of polaron motionAnnals of Physics, 1959