A genetic algorithm for Lennard-Jones atomic clusters

In regard to the problem of determining minimum L-J configurations for clus ters of n atoms, we present here a genetic algorithm able to reproduce all best-known solutions in the 13 < n < 147 size range. These include not only the classical structures adhering to the icosahedral-growth, but also seve n icosahedral structures with incomplete core, six more following the Marks decahedron geometry, and the unique (n = 38) face-centered cubic configura tion that has been found in this range. (C) 1999 Elsevier Science Ltd. All rights reserved.