title: CCL: an algorithm for the efficient comparison of clusters.
abstract: The systematic comparison of the atomic structure of solids and clusters has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of structure prediction and structure determination of nanomaterials. In this work, an efficient and robust algorithm for the comparison of cluster structures is presented, which is based on the mapping of the point patterns of the two clusters onto each other. This algorithm has been implemented as the module CCL in the structure visualization and analysis programKPLOT.
authors.affiliation: Institut für Anorganische Chemie, Universität Bonn, Gerhard-Domagk-Strasse 1, D-53121 Bonn, Germany.
authors.forename: R
authors.initials: R
authors.lastname: Hundt
authors.forename: J C
authors.initials: JC
authors.lastname: Schön
authors.forename: S
authors.initials: S
authors.lastname: Neelamraju
authors.forename: J
authors.initials: J
authors.lastname: Zagorac
authors.forename: M
authors.initials: M
authors.lastname: Jansen
keywords: cluster structures; computer programs; nanomaterials; structure determination; structure prediction