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dc.creatorWilliams, Christopher F.en_US
dc.creatorHerbert, John M.en_US
dc.date.accessioned2008-07-15T14:00:26Z
dc.date.available2008-07-15T14:00:26Z
dc.date.issued2008en_US
dc.identifier2008-RJ-09en_US
dc.identifier.urihttp://hdl.handle.net/1811/33599
dc.descriptionF. Wang and K. D. Jordan J. Chem. Phys.en_US
dc.descriptionAuthor Institution: Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, OH 43210en_US
dc.description.abstractRecent investigations have found that there is a link between the balance of electrostatic and correlation effects present and the morphology of water cluster anions. However, using \emph{ab initio} methods it is somewhat difficult to separate out the type and magnitude of these interactions. Using a Drude-type model first introduced by Jordan \emph{et al.} } \textbf{114}, 10717 (2001)} a systematic investigation is made into the effect of both the size and type of multipole expansion used to represent the charge distribution on the water molecules making up the cluster, the effect of polarization, and electron correlation. This will elucidate how the different interactions affect the geometry of the water cluster, particularly with regard to the issue of cavity vs. surface states. The results from the model will be compared with previous \emph{ab initio} calculations.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleSYSTEMATIC INVESTIGATION OF ELECTROSTATIC AND CORRELATION EFFECTS IN WATER CLUSTER ANIONSen_US
dc.typeArticleen_US


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