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• W1996750366 abstract "An ab initio three-body potential (called cc) is presented, discussed, and applied. Using the ab initio two-body potential of Matsuoka-Clementi-Yoshimine (1975) and the CC potential, we have carried out Metropolis-Monte Carlo simulation at 298 K for an (N, V, T) ensemble with N = 64, 125, and 343 water molecules. Improvements, relative to the use of only the two-body potential, have been obtained for the g(O–O), g(O–H), g(H–H), g(N) correlation functions, for the X-ray and neutron beam scattering intensities, and for the enthalpy." @default.
• W1996750366 created "2016-06-24" @default.
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• W1996750366 date "2009-06-19" @default.
• W1996750366 modified "2023-09-25" @default.
• W1996750366 title "Monte carlo study of liquid water with two- and three-body ab initio potentials" @default.
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• W1996750366 doi "https://doi.org/10.1002/qua.560240707" @default.
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