title: A density functional for strong correlation in atoms.
abstract: In this work, a strong-correlation model is developed for use with the Becke-Roussel exchange and dynamical correlation functionals. The model is free of empirical parameters and is exact for the hydrogen atom. It significantly improves on results from conventional functionals for the relative energies of spin-polarized and spin-averaged atoms through the first three rows of the periodic table, giving a mean absolute error of only 4 kcal/mol. The dissociation curve for the H2 molecule is also considered.
authors: Chemistry and Chemical Biology, University of California, Merced 5200 North Lake Road, Merced, California 95343, USA. ejohnson29@ucmerced.edu
authors: Erin R
authors: ER
authors: Johnson