@article { ISI:A1996VC07100016,
	title = {Solvation of metal atoms in quantum clusters: Structural and vibrational properties of Hg(H-2)(12) and Mg(H-2)(12)},
	journal = {CHEMICAL PHYSICS LETTERS},
	volume = {258},
	year = {1996},
	month = {AUG 16},
	pages = {416-420},
	abstract = {Diffusion quantum Monte Carlo (DQMC) simulations are used to study the vibrational ground state of the clusters Hg(H-2)(12) and Mg(H-2)(12). In these clusters, the metal atom is located inside, surrounded by a highly delocalized, liquid-like and, for Hg(H-2)(12), also nearly spherical envelope of hydrogens. However, the wavefunctions of the clusters exhibit traces of icosahedral behavior within the delocalized structure, related to the geometry of the corresponding classical systems. A simple model wavefunction is fitted, with excellent agreement to the numerical DQMC data. It provides a convenient interpretation of the vibrational ground state of these clusters.},
	issn = {0009-2614},
	doi = {10.1016/0009-2614(96)00671-9},
	author = {Broude, S. and Gerber, R. B.}
}
