|
The ground states of Lennard-Jones clusters for sizes up to n=147 are estimated as a function of the de Boer quantum delocalization length Λ, using the Variational Gaussian Wavepacket method. and the n-Λ ``phase diagram'' is constructed. showing the ranges of stability of various structural motifs, including the Mackay and anti-Mackay icosahedra, several non-icosahedral but highly-symmetric structures, and liquid-like (or disordered) structures. The increase of Λ favors more disordered and diffuse structures over more symmetric and compact ones, eventually making the liquid-like (or disordered) moti f most energetically favorable. The analogy between the quantum- and thermally-induced structural transitions is explored. |
|