Electron localization in one dimension obtained from combined exact diagonalization - ab initio approach

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.

4 pages; submitted to Phys. Rev. Lett

References in corpus (3)

• One-Dimensional Fermi liquids
• Wigner Crystal in One Dimension
• Phase diagram of the half-filled Hubbard chain with next-nearest-neighbor hopping

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