Abstract
The tapered reaction field method has been extended to include linear and non-linear polarization effects. The resulting consistent scheme is useful in molecular dynamic simulations for dealing with long-range dipolar forces and many-body polarization effects. As an application we have included the normal polarizability together with the first and second hyperpolarizability in a 3-point charge model for water.
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© 1994 Springer Science+Business Media Dordrecht
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Ruocco, G., Sampoli, M. (1994). Molecular Dynamics on a Water Model with Polarizability and Hyperpolarizability. In: Bellissent-Funel, MC., Dore, J.C. (eds) Hydrogen Bond Networks. NATO ASI Series, vol 435. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-8332-9_7
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DOI: https://doi.org/10.1007/978-94-015-8332-9_7
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