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
Pages
6
From page
1268
To page
1273
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
Serial Year
2007
Journal title
Journal of Non-Crystalline Solids
Record number
1381065
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