Journal
MOLECULAR PHYSICS
Volume 105, Issue 19-22, Pages 2681-2696Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970701620669
Keywords
water clusters; polarizable water molecule; 3-body interactions
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In this work we examine three water models, including one developed by us, with distributed polarizable sites. These models are assessed by comparison with the results of MP2 calculations. The use of distributed polarizable sites is found to be especially important for describing the 3-body interaction energies of water clusters. It is also shown that all-atom repulsion terms are necessary to accurately describe cluster geometries.
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