Rossi, M. Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
https://arxiv.org/abs/2103.04206 (Preprint)
https://dx.doi.org/10.1063/5.0042572 (Publisher version)
https://dx.doi.org/10.1063/10.0004998 (Supplementary material)
5.0042572.pdf (Publisher version), 4MB
Rossi, M. (2021). Progress and challenges in ab initio simulations of quantum nuclei in weakly bonded systems. The Journal of Chemical Physics, 154(17): 170902. doi:10.1063/5.0042572.