Canonical numerical methods for molecula
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Daniel I. Okunbor; Robert D. Skeel
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Article
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1994
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John Wiley and Sons
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English
⚖ 651 KB
We consider the application of canonical numerical integrators to molecular dynamics simulations. Computer experiments are done to analyze the relative merits of using canonical integrators against their noncanonical counterparts. These experiments involve the study of the properties of liquid argon