Using the embedded-atom method as developed by Voter and Chen in combination with the variable metric/quasi-Newton and our own Aufbau/Abbau methods, we have identified the three most stable isomers of AuN clusters with N up to 150...
Keywords: Gold Clusters, Embedded-Atom Method Calculations, Structure, stability
07/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag