MONTE CARLO LIQUID WATER SIMULATIONS WITH FOUR-BODY INTERACTIONS INCLUDED
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Date
1984
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Publisher
Ohio State University
Abstract
We have added a four-body interaction term to previously derived two-and three-body interactions for water molecules. All interactions are derived from fits to ab initio molecular calculations. Metropolis-Monte Carlo liquid simulations using these interactions are presented. Our results indicate that four-body interactions are significant.
Description
Author Institution: IBM Corporation, IS/TG, Department