Cooperative polarisation in ice Ih and t
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Malcolm I. Heggie; Christopher D. Latham; Stephen C.P. Maynard; R. Jones
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Article
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1996
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Elsevier Science
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English
โ 387 KB
Cooperative polarisation in ice I h is illustrated in clusters of eight molecules using local density functional calculations where the exchange-correlation functional is a modified Ceperley-Alder expression. These parameter-free total energy calculations support the four-point charge/polarisable po