title: Quantum transitions in Lennard-Jones clusters.
abstract: The ground states of Lennard-Jones (LJ) clusters are estimated by finding the Gaussian wave packets that minimize the energy functional. A "phase diagram" for LJ_{n} as a function of size (n=31,...,45) and de Boer quantum delocalization length (Lambdain[0;0.3]) is constructed, showing the stability ranges for the two competing structural motifs, the Mackay and anti-Mackay icosahedra. An increase of Lambda has an effect similar to heating and as such may induce structural transformations.
authors.affiliation: Chemistry Department, University of California at Irvine, Irvine, California 92697, USA.
authors.forename: Jason
authors.initials: J
authors.lastname: Deckman
authors.forename: Pavel A
authors.initials: PA
authors.lastname: Frantsuzov
authors.forename: Vladimir A
authors.initials: VA
authors.lastname: Mandelshtam