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Fusion and fission of atomic clusters: recent advances

In: Computing Letters
Authors:
O. I. Obolensky Frankfurt Institute for Advanced Studies Johann Wolfgang Goethe-University Max-von-Laue str.1 60438 Frankfurt am Main Germany

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I. A. Solov’yov Frankfurt Institute for Advanced Studies Johann Wolfgang Goethe-University Max-von-Laue str.1 60438 Frankfurt am Main Germany

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A. V. Solov’yov Frankfurt Institute for Advanced Studies Johann Wolfgang Goethe-University Max-von-Laue str.1 60438 Frankfurt am Main Germany

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W. Greiner Frankfurt Institute for Advanced Studies Johann Wolfgang Goethe-University Max-von-Laue str.1 60438 Frankfurt am Main Germany

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Online Publication Date:
06 Mar 2005
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We review recent advances made by our group in finding optimized geometries of atomic clusters as well as in description of fission of charged small metal clusters. We base our approach to these problems on analysis of multidimensional potential energy surface. For the fusion process we have developed an effective scheme of adding new atoms to stable cluster isomers which provides good starting points for a global optimization procedure and thus allows one to obtain optimal geometries of larger clusters in an efficient way. We apply this algorithm to finding geometries of metal and noble gas clusters. For the fission process the analysis of the potential energy landscape calculated on the ab initio level of theory allowed us to obtain very detailed information on energetics and pathways of the different fission channels for the Na2+ 10 clusters.

Title:
Fusion and fission of atomic clusters: recent advances
Article Type:
Research Article
DOI:
https://doi.org/10.1163/157404005776611501
Language:
English
Pages:
313–318
Keywords:
atomic clusters; atomic cluster fission; atomic cluster fusion; Lennard-Jones clusters; global minimization
In:
Computing Letters
In:
Volume 1: Issue 4
Received:
02 Aug 2005
Accepted:
12 Nov 2005
Publisher:
VSP
E-ISSN:
1574-0404
Subjects:
Mathematics & Computer Sciences, Biology

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