Microsolvation of cationic alkali dimers in helium: quantum delocalization and solid-like/liquid-like behaviors of He shells
Authors: Yanes-Rodriguez, Raquel; Villarreal, Pablo; Prosmiti, Rita Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2025/04/16 DOI: 10.1039/d5cp00318k Abstract: We performed path-integral molecular dynamics (PIMD) simulations in the NVT ensemble to investigate the quantum solvation of Li2+ in He nanoclusters at a low temperature of 2 K. The interaction potentials were modeled using a sum-of-potentials [...]