Romain Garnier, Marc Odunlami, Vincent Le Bris, Didier Bégué, Isabelle Baraille, et al.. Adaptive vibrational configuration interaction (A-VCI): a posteriori error estimation to efficiently compute anharmonic IR spectra.
Journal of Chemical Physics, American Institute of Physics, 2016, 144 (20).
⟨hal-01310708⟩