Computer simulation of quantum melting in hydrogen clusters
Other Condensed Matter
2007-05-23 v1
Abstract
We introduce a new criterion--based on multipole dynamical correlations calculated within Reptation Quantum Monte Carlo--to discriminate between a melting vs. freezing behavior in quantum clusters. This criterion is applied to small clusters of para-hydrogen molecules (both pristine and doped with a CO cromophore), for cluster sizes around 12 molecules. This is a magic size at which para-hydrogen clusters display an icosahedral structure and a large stability. In spite of the similar geometric structure of CO@(pH2)_12 and (pH2)_13, the first system has a rigid, crystalline, behavior, while the second behaves more like a superfluid (or, possibly, a supersolid).
Cite
@article{arxiv.cond-mat/0502635,
title = {Computer simulation of quantum melting in hydrogen clusters},
author = {Stefano Baroni and Saverio Moroni},
journal= {arXiv preprint arXiv:cond-mat/0502635},
year = {2007}
}
Comments
5 pages, 5 pdf. Chem Phys Chem, in press (2005)