RESONATING HARTREE-FOCK STUDIES ON ELECTRON CORRELATION AND BOND ALTERNATION IN THE ONE-DIMENSIONAL HALF-FILLED HUBBARD-MODEL

Citation
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
Citations number
35
Categorie Soggetti
Physics
ISSN journal
00319015
Volume
62
Issue
12
Year of publication
1993
Pages
4338 - 4351
Database
ISI
SICI code
0031-9015(1993)62:12<4338:RHSOEC>2.0.ZU;2-M
Abstract
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.