An efficient method for strongly correlated electrons in one dimension

Abstract

The one-particle reduced density matrix functional theory in its natural orbital functional (NOF) version is used to study strongly correlated electrons. We show the ability of the Piris NOF 7 (PNOF7) to describe non-dynamic correlation effects in one-dimensional (1D) systems. An extensive study of 1D systems that includes Hydrogen (H) chains and the 1D Hubbard model with periodic boundary conditions is provided. Different filling situations and large sizes with up to 122 electrons are considered. Compared to quasi-exact results, PNOF7 is accurate in different correlation regimes for the 1D Hubbard model even away from the half-filling, and maintains its accuracy when the system size increases. The symmetric and asymmetric dissociations of the linear H chain composed of 50 atoms are described to remark the importance of long-range interactions in presence of strong correlation effects. Our results compare remarkably well with those obtained at the density-matrix renormalization group level of theory.

5 pages, 4 figures, 3 tables

References in corpus (5)

• Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group
• Global Method for Electron Correlation
• Analysis of two-orbital correlations in wavefunctions restricted to electron-pair states
• DMRG Study of Critical Behavior of the Spin-1/2 Alternating Heisenberg Chain
• Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: Exploiting translational invariance and parity

Cited by in corpus (1)

• An efficient method for strongly correlated electrons in two-dimensions