LDA+U and beyond

Introduction to realistic DFT-based scheme for spin, charge and orbital order in Mott insulators.

References

  • First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method, V. I. Anisimov et al., J. Phys.: Condens. Matter 9, 767 (1997); doi:10.1088/0953-8984/9/4/002
  • Band theory and Mott insulators: Hubbard U instead of Stoner I, V. I. Anisimov et al., Phys. Rev. B 44, 943 (1991); doi:10.1103/PhysRevB.44.943