Philipp Paul Hallmen, Guntram Rauhut, Hermann Stoll, Alexander Mitrushchenkov, Joris van Slageren. Crystal field splittings in lanthanide complexes: Inclusion of correlation effects beyond second order perturbation theory.
Journal of Chemical Theory and Computation, American Chemical Society, 2018, 18 (4), pp.3998-4009.
⟨10.1021/acs.jctc.8b00184⟩.
⟨hal-01826125⟩