On the importance of zero-point effects
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Christian J. Burnham; Sotiris S. Xantheas
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Article
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2004
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Elsevier Science
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English
β 292 KB
We discuss the fundamental difficulties involved in comparing energetic results obtained via classical simulations of bulk water with the observed values. Emphasis is placed on the difference between quantum and classical dynamics, and correction techniques, which can be used to emulate quantum effe