Document Detail

Shell models of two-dimensional Coulomb crystals: Assessment and comparison with the three-dimensional case.
MedLine Citation:
PMID:  22443763     Owner:  NLM     Status:  In-Data-Review    
Three shell models, differing in accuracy and computational cost, are formulated for two-dimensional Coulomb crystals. Offering a new means of predicting and analyzing properties of these species, the new models also provide new insights into their previously derived three-dimensional counterparts. In particular, analysis of the individual components of the energy error points out to the neglect of the positional relaxation as the main source of the differences between the approximate and exact energies. Within the realm of shell models, the two-dimensional case turns out to be somewhat more challenging than the three-dimensional one. Due to the lack of exact closed-form expressions for the optimal shell radii, it is computationally more expensive and the energy predictions at the same level of approximation are less accurate (as indicated by the maximum relative energy error of 0.15% vs. that of 0.03% found for spherical Coulomb crystals).
Jerzy Cioslowski; Joanna Albin
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  136     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2012 Mar 
Date Detail:
Created Date:  2012-03-26     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  114306     Citation Subset:  IM    
Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland.
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