N. Tomita et al., RESONATING HARTREE-FOCK STUDIES ON ELECTRON CORRELATION AND BOND ALTERNATION IN THE ONE-DIMENSIONAL HALF-FILLED HUBBARD-MODEL, Journal of the Physical Society of Japan, 62(12), 1993, pp. 4338-4351
Effects of the on-site electron-electron Coulomb interaction U on bond
alternation in the one dimensional half filled Hubbard model are stud
ied by the resonating Hartree-Fock method. Two kinds of SDW neutral so
litons S(A)0 and S(B)0 exist in a bond alternated lattice which are ce
ntered at a long bond and a short bond, respectively. S(A)0 enhances b
ut S(B)0 suppresses the alternating bond order (ABO) due to bond alter
nation. Quantum fluctuations in the ground state involve more S(A)0's
than S(B)0's because the former has lower energy than the latter with
increasing bond alternation so that they enhance the ABO in the true g
round state and consequently the bond alternation. The spin and single
t pair correlation functions show that electrons tend to make singlet
pairs on nearest neighbor short bonds even from small U's and small bo
nd alternations.