Energy landscape, two-level systems and entropy barriers in Lennard-Jones clusters
Condensed Matter
2009-10-31 v1
Abstract
We develop an efficient numerical algorithm for the identification of a large number of saddle points of the potential energy function of Lennard- Jones clusters. Knowledge of the saddle points allows us to find many thousand adjacent minima of clusters containing up to 80 argon atoms and to locate many pairs of minima with the right characteristics to form two-level systems (TLS). The true TLS are singled out by calculating the ground-state tunneling splitting. The entropic contribution to all barriers is evaluated and discussed.
Keywords
Cite
@article{arxiv.cond-mat/9804113,
title = {Energy landscape, two-level systems and entropy barriers in Lennard-Jones clusters},
author = {G. Daldoss and O. Pilla and G. Viliani and G. Ruocco},
journal= {arXiv preprint arXiv:cond-mat/9804113},
year = {2009}
}
Comments
4 pages, RevTex, 2 PostScript figures