Computational molecular dynamics simulations of cationic alkali dimers solvated in He clusters: the Li2+ case
Authors: Yanes-Rodriguez, Raquel; Rodriguez-Segundo, Raul; Villarreal, Pablo; Prosmiti, Rita Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 2023/06/01 DOI: 10.1140/epjd/s10053-023-00691-9 Abstract: The structures and energetics of Li-2(+) -doped He clusters have been determined by means of evolutionary programming optimizations and classical molecular dynamics simulations. The underlying interactions in the HeNLi+ 2 complexes are described by sum-of-potentials [...]