Christophe Narth, Louis Lagardère, Etienne Polack, Nohad Gresh, Qiantao Wang, et al.. Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.
Journal of Computational Chemistry, Wiley, 2016, 37 (5), pp.494-506.
⟨10.1002/jcc.24257⟩.
⟨hal-01223008⟩