Abstract
The ground state energies of infinite half-filled Hubbard-Peierls chains are investigated by combining an 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 3×10−3 for all values of U using diagonalations of 12-site (20-site) chain segments. For dimerized chains the dimerization order parameter d as a function of the on-site repulsion interaction U has a maximum at nonzero values of U, if the electron-phonon coupling g is lower than a critical value g c . The critical value g c is found with high accuracy to be g c =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 g c 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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Pis’ma Zh. Éksp. Teor. Fiz. 67, No. 12, 994–999 (25 June 1998)
Published in English in the original Russian journal. Edited by Steve Torstveit.