Predicting atomic dopant solvation in helium clusters: the MgHe${}_n$ case

Massimo Mella, Gabriele Calderoni, Fausto Cargnoni

We present a quantum Monte Carlo study of the solvation and spectroscopic properties of the Mg doped helium clusters MgHe${}_n$ with $n=2-50$. Three high level (MP4, CCSD(T) and CCSD…