โ Scribed by Akihiro Morita
No coin nor oath required. For personal study only.
The polarizability of a water molecule in liquid is evaluated via ab initio and density functional calculations for water clusters. This work has considerably improved our previous effort [J Chem Phys 1999, 110, 11987] to attain quantitative accuracy for polarizability. The calculations revealed that the water polarizability in the liquid is reduced from that in the gaseous phase by 7โ9%. These results suggest significant implications for polarizable water models. ยฉ 2002 Wiley Periodicals, Inc. J Comput Chem 23: 1466โ1471, 2002
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