Eur. Phys. J. D 52, 63-66 (2009)
https://doi.org/10.1140/epjd/e2008-00248-2

Solvation onset of Ca in mixed helium droplets

Departament ECM, Facultat de Física and INUB, Universitat de Barcelona, 08028 Barcelona, Spain

Corresponding author: ^a dmateo@ecm.ub.es

Received: 19 September 2008
Published online: 24 January 2009

Abstract

Within density functional theory, we have addressed the solvation onset of Ca atoms in small, mixed helium drops. As a case of study, we have considered a Ca@⁴He₅₀ droplet to which we have first added one single ³He atom. Next, the structure of spin-saturated Ca@³He _N3+⁴He₅₀ droplets with N₃=18, 32, 50 and 68 is determined and used to infer the number of ³He atoms needed to solvate the Ca atom for that particular system.