title: Investigation of Self-Interaction Corrections for an Exactly Solvable Model System: Orbital Dependence and Electron Localization.
abstract: A systematic investigation of two approximate self-interaction corrections (SICs), Perdew-Zunger SIC and Lundin-Eriksson SIC, and the local-density approximation (LDA) is performed for a model Hamiltonian whose exact many-body solution and exact LDA are known. Both SICs as well as LDA are applied in the calculation of ground-state energies, ground-state densities, energy gaps, and impurity densities of one-dimensional Hubbard chains differing in size, particle number, and interaction strength. The orbital-dependent potentials arising from either SIC are treated within the optimized-effective potential method, which we reformulate for the Hubbard model. The delocalization tendency of LDA is confronted with the localization tendency of SIC. A statistical analysis of the resulting data set sheds light on the role of SIC for weakly and strongly interacting particles and allows one to assess the performance of each methodology.
authors.affiliation: Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, 09210-170 São Paulo, Brazil.
authors.forename: Daniel
authors.initials: D
authors.lastname: Vieira
authors.affiliation: Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, 09210-170 São Paulo, Brazil.
authors.forename: K
authors.initials: K
authors.lastname: Capelle