ABSTRACT
Experimental and theoretical studies of atomic clusters have not only proven to be a challenging research theme, but have also proven to be of great practical importance in developing new technologies [1, and references therein]. The physical and chemical properties of atomic clusters lie between the properties of molecular systems and solids and are often unique. This chapter describes a number of theoretical methodologies currently applied to study small atomic clusters. Several current methods for optimizing cluster geometries, such as genetic algorithm, simulated annealing, and
11.1 Introduction .................................................................................................. 372 11.2 Clusters: Between Atoms and Bulk .............................................................. 373 11.3 Optimization Methods Applied to Cluster Studies: Finding the Most
Stable Isomers ............................................................................................... 376 11.3.1 Genetic Algorithm ............................................................................ 377 11.3.2 Simulated Annealing ........................................................................ 379 11.3.3 Big Bang Method ..............................................................................380
