Title of article :
Mapping the potential energy landscapes of selenium clusters
Author/Authors :
Mauro، نويسنده , , John C. and Loucks، نويسنده , , Roger J. and Balakrishnan، نويسنده , , Jitendra and Varshneya، نويسنده , , Arun K.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Abstract :
We describe the potential energy landscapes of Se3–Se8 clusters using disconnectivity graphs. Inherent structures include both chain and ring configurations, with rings dominating in the larger clusters. Transition points are located using an eigenvector-following technique, which is of general applicability in mapping multi-dimensional energy landscapes.
Keywords :
Ab initio , nanoclusters , Modeling and simulation , structure
Journal title :
Journal of Non-Crystalline Solids
Journal title :
Journal of Non-Crystalline Solids