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VOLUME 67 (1998) | ISSUE 12 |
PAGE 994
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Incremental expansions for Hubbard-Peierls systems
Malek J., Kladko K., Flach S.
PACS: 71.10.Fd, 75.10.Jm
The ground state energies of infinite half-filled Hubbard Peierls chains are investigated combining incremental expansion with exact diagonalization of finite chain segments. The ground state energy of equidistant infinite Hubbard ( Heisenberg) chains is calculated with a relative error of less than 3 · 10_s for all values of U using diagonali-zations of 12-site (20-site) chain segments. For dimerized chains the dimerization order parameter d as a function of the onsite repulsion interaction U has a maximum at nonzero values of U, if the electron-phonon coupling g is lower than a critical value gc. The critical value gc is found with high accuracy to be gc = 0.69. For smaller values of g the position of the maximum of d(U) is approximately 3t, and rapidly tends to zero as g approaches gc from below. We show how our method can be applied to calculate breathers for the problem of phonon dynamics in Hubbard Peierls systems.
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