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Structures and energetics of helium cluster cations: equilibrium geometries revisited through the genetic algorithm approach.
MedLine Citation:
PMID:  21033795     Owner:  NLM     Status:  In-Process    
Abstract/OtherAbstract:
Equilibrium geometries and dissociation energies of He(N)(+) clusters have been calculated for N=3-35 using an extended genetic algorithm approach and a semiempirical model of intracluster interactions [P. J. Knowles, J. N. Murrell, and E. J. Hodge, Mol. Phys. 85, 243 (1995)]. A general aufbau principle is formulated for both ionic cores and neutral solvation shells, and the results are thoroughly compared with other theoretical data available for helium cluster cations in literature.
Authors:
Karel Oleksy; František Karlický; René Kalus
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  133     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2010 Oct 
Date Detail:
Created Date:  2010-11-01     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  164314     Citation Subset:  -    
Affiliation:
Department of Physics, Faculty of Science, University of Ostrava, 30. dubna 22, Ostrava 701 03, Czech Republic. karel.oleksy@osu.cz
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