Electron localization in one dimension obtained from combined exact diagonalization - ab initio approach
Strongly Correlated Electrons
2007-05-23 v1
Abstract
Exact ground-state properties are presented by combining the diagonalization in the Fock space (and taking all hopping integrals and all two-site interactions) with the ab initio optimization of the Wannier functions. Electrons are essentially localized for the interatomic distance R~2A for s-like states, when the quasiparticle mass is divergent. The momentum distribution dispersion is proposed to define the localization order parameter. Dimerization and zero-point energies are also discussed. The method provides convergent results for N>=8 atoms.
Cite
@article{arxiv.cond-mat/0106089,
title = {Electron localization in one dimension obtained from combined exact diagonalization - ab initio approach},
author = {Jozef Spalek and Adam Rycerz},
journal= {arXiv preprint arXiv:cond-mat/0106089},
year = {2007}
}
Comments
4 pages; submitted to Phys. Rev. Lett