title: Magnetizabilities at Self-Interaction-Corrected Density Functional Theory Level.
abstract: Using a recent high-quality ab initio coupled cluster benchmark set for magnetizabilities, we assess the performance of a set of density functionals, representing different levels of complexity, from the local density approximation (LDA), via generalized gradient approximations (GGA's) to kinetic energy density including meta-GGA's. The effect of self-interaction correction (SIC) is remarkable and, in most cases, leads to a significant error reduction, revealing the sensitivity of magnetizability toward a physically sound exchange-correlation potential.
authors.affiliation: Institut de Química Computacional, Universitat de Girona, Campus Montilivi, ES-17071 Girona, Spain and Laboratory for Instruction in Swedish, Department of Chemistry, University of Helsinki, FI-00014 Helsinki, Finland.
authors.forename: Mikael P
authors.initials: MP
authors.lastname: Johansson
authors.affiliation: Institut de Química Computacional, Universitat de Girona, Campus Montilivi, ES-17071 Girona, Spain and Laboratory for Instruction in Swedish, Department of Chemistry, University of Helsinki, FI-00014 Helsinki, Finland.
authors.forename: Marcel
authors.initials: M
authors.lastname: Swart