| Literature DB >> 12633353 |
Ilia A Solov'yov1, Andrey V Solov'yov, Walter Greiner, Andrey Koshelev, Andrey Shutovich.
Abstract
We present a new theoretical framework for modeling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system, and absorbing its energy at each step, we find cluster growing paths up to the cluster sizes of more than 100 atoms. We demonstrate that in this way all known global minimum structures of the Lennard-Jones (LJ) clusters can be found. Our method provides an efficient tool for the calculation and analysis of atomic cluster structure. With its use we justify the magic number sequence for the clusters of noble gas atoms and compare it with experimental observations.Entities:
Year: 2003 PMID: 12633353 DOI: 10.1103/PhysRevLett.90.053401
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161